N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4,5,6-trimethylpyrimidin-2-amine

C13H18N6 — CID 162628903

IUPACN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4,5,6-trimethylpyrimidin-2-amine
SMILESCc1nc(NCc2nnc3n2CCC3)nc(C)c1C
InChIInChI=1S/C13H18N6/c1-8-9(2)15-13(16-10(8)3)14-7-12-18-17-11-5-4-6-19(11)12/h4-7H2,1-3H3,(H,14,15,16)
InChIKeyWOPTYWQYJYLAFN-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.55
Rot. Bonds3

About N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4,5,6-trimethylpyrimidin-2-amine

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4,5,6-trimethylpyrimidin-2-amine (PubChem CID 162628903) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4,5,6-trimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4,5,6-trimethylpyrimidin-2-amine
PubChem CID162628903
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4,5,6-trimethylpyrimidin-2-amine
SMILESCc1nc(NCc2nnc3n2CCC3)nc(C)c1C
InChIInChI=1S/C13H18N6/c1-8-9(2)15-13(16-10(8)3)14-7-12-18-17-11-5-4-6-19(11)12/h4-7H2,1-3H3,(H,14,15,16)
InChIKeyWOPTYWQYJYLAFN-UHFFFAOYSA-N
XLogP1.55
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methylaniline
CID 54920883
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)aniline
CID 60722553
5-methyl-2-N,4-N-bis(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyrimidine-2,4-diamine
CID 133382843
methyl 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-2-methylpyridine-3-carboxylate
CID 133434367
5,6-dimethyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyridazin-3-amine
CID 133488550
5-tert-butyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 133382927
3,4-dimethyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
CID 17390796
N-methoxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
CID 82654891
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 72850857
2-chloro-6-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline
CID 107077638
3-(2,2-dimethylpropyl)-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 146137274
1-tert-butyl-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylguanidine
CID 110967076

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4,5,6-trimethylpyrimidin-2-amine?
The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4,5,6-trimethylpyrimidin-2-amine (CID 162628903) is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4,5,6-trimethylpyrimidin-2-amine.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4,5,6-trimethylpyrimidin-2-amine?
The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4,5,6-trimethylpyrimidin-2-amine is Cc1nc(NCc2nnc3n2CCC3)nc(C)c1C.
What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4,5,6-trimethylpyrimidin-2-amine?
The InChIKey is WOPTYWQYJYLAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-8-9(2)15-13(16-10(8)3)14-7-12-18-17-11-5-4-6-19(11)12/h4-7H2,1-3H3,(H,14,15,16).
What are the key properties of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4,5,6-trimethylpyrimidin-2-amine?
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4,5,6-trimethylpyrimidin-2-amine has a molecular weight of 258.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4,5,6-trimethylpyrimidin-2-amine is sourced from PubChem (CID 162628903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).