2-N,2-N-dimethyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine

C10H17N9 — CID 80854271

IUPAC2-N,2-N-dimethyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(NCCc2ncn(C)n2)n1
InChIInChI=1S/C10H17N9/c1-18(2)10-15-8(11)14-9(16-10)12-5-4-7-13-6-19(3)17-7/h6H,4-5H2,1-3H3,(H3,11,12,14,15,16)
InChIKeyYQPCKFAIOIMXON-UHFFFAOYSA-N
MW263.31 g/mol
LogP-0.70
Rot. Bonds5

About 2-N,2-N-dimethyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine

2-N,2-N-dimethyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 80854271) has the molecular formula C10H17N9 and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID80854271
Molecular FormulaC10H17N9
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC Name2-N,2-N-dimethyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(NCCc2ncn(C)n2)n1
InChIInChI=1S/C10H17N9/c1-18(2)10-15-8(11)14-9(16-10)12-5-4-7-13-6-19(3)17-7/h6H,4-5H2,1-3H3,(H3,11,12,14,15,16)
InChIKeyYQPCKFAIOIMXON-UHFFFAOYSA-N
XLogP-0.70
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N,2-N-dimethyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

2-N,2-N-dimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 106106821
2-N,2-N-dimethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80853556
2-N,2-N-dimethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 103012622
4-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 80797100
6-hydrazinyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 80926867
4,6-dimethoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 115355225
4-N-[2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 130243747
2-N,2-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80816988
5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 80854180
4-N-[3-[9-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 45264890
2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine
CID 80831643
4-chloro-6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 80689265

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine (CID 80854271) is 2-N,2-N-dimethyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(N)nc(NCCc2ncn(C)n2)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is YQPCKFAIOIMXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N9/c1-18(2)10-15-8(11)14-9(16-10)12-5-4-7-13-6-19(3)17-7/h6H,4-5H2,1-3H3,(H3,11,12,14,15,16).
What are the key properties of 2-N,2-N-dimethyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-dimethyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 263.31 g/mol, XLogP of -0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80854271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).