4-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine

C15H24N8 — CID 75470602

IUPAC4-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1nc(NCCc2nnc3n2CCC3)nc(N(C)C)n1
InChIInChI=1S/C15H24N8/c1-10(2)13-17-14(19-15(18-13)22(3)4)16-8-7-12-21-20-11-6-5-9-23(11)12/h10H,5-9H2,1-4H3,(H,16,17,18,19)
InChIKeyBFGWUYFXUWQHHE-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.25
Rot. Bonds6

About 4-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine

4-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 75470602) has the molecular formula C15H24N8 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID75470602
Molecular FormulaC15H24N8
Molecular Weight316.41 g/mol
Exact Mass316.21
IUPAC Name4-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1nc(NCCc2nnc3n2CCC3)nc(N(C)C)n1
InChIInChI=1S/C15H24N8/c1-10(2)13-17-14(19-15(18-13)22(3)4)16-8-7-12-21-20-11-6-5-9-23(11)12/h10H,5-9H2,1-4H3,(H,16,17,18,19)
InChIKeyBFGWUYFXUWQHHE-UHFFFAOYSA-N
XLogP1.25
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine
CID 81057329
2-methyl-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine
CID 81056328
4-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 133418508
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4,5,6-trimethylpyrimidin-2-amine
CID 162628903
3-(2,2-dimethylpropyl)-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 146137274
(2S)-1-tert-butylsulfanyl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]propan-2-amine
CID 97229608
(2R)-1-tert-butylsulfanyl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]propan-2-amine
CID 97229609
N-ethyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 81055898
4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 133419299
4-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 133420627
5-fluoro-N,N-dimethyl-2-[(1R)-1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethylamino]ethyl]aniline
CID 97229613
1-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]urea
CID 75425428

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 75470602) is 4-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine is CC(C)c1nc(NCCc2nnc3n2CCC3)nc(N(C)C)n1.
What is the InChIKey of 4-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is BFGWUYFXUWQHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N8/c1-10(2)13-17-14(19-15(18-13)22(3)4)16-8-7-12-21-20-11-6-5-9-23(11)12/h10H,5-9H2,1-4H3,(H,16,17,18,19).
What are the key properties of 4-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
4-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 316.41 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 75470602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).