2-N-(2-methylcyclopropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

C9H12N8 — CID 80826675

IUPAC2-N-(2-methylcyclopropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCC1CC1Nc1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C9H12N8/c1-5-2-6(5)13-8-14-7(10)15-9(16-8)17-4-11-3-12-17/h3-6H,2H2,1H3,(H3,10,13,14,15,16)
InChIKeyMQNQXJLYCWVUHM-UHFFFAOYSA-N
MW232.25 g/mol
LogP-0.15
Rot. Bonds3

About 2-N-(2-methylcyclopropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

2-N-(2-methylcyclopropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80826675) has the molecular formula C9H12N8 and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-N-(2-methylcyclopropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methylcyclopropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80826675
Molecular FormulaC9H12N8
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name2-N-(2-methylcyclopropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCC1CC1Nc1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C9H12N8/c1-5-2-6(5)13-8-14-7(10)15-9(16-8)17-4-11-3-12-17/h3-6H,2H2,1H3,(H3,10,13,14,15,16)
InChIKeyMQNQXJLYCWVUHM-UHFFFAOYSA-N
XLogP-0.15
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-(2-methylcyclopropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(2-methoxycyclopentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80818031
2-N-cycloheptyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80772602
2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80766436
4-N-methyl-2-N-(2-methylcyclopentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80829419
2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80835736
[4-(3,5-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80912010
2-N-(4-methylpentan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80784608
1-[4-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80751563
2-N-[2-(dimethylamino)-2-methylpropyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80812261
6-methyl-2-N-(2-methylcyclopropyl)-1,3,5-triazine-2,4-diamine
CID 130532599
2-N-benzyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80770243
4-[4-(dimethylamino)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80776233

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylcyclopropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-methylcyclopropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 80826675) is 2-N-(2-methylcyclopropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methylcyclopropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-methylcyclopropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is CC1CC1Nc1nc(N)nc(-n2cncn2)n1.
What is the InChIKey of 2-N-(2-methylcyclopropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MQNQXJLYCWVUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N8/c1-5-2-6(5)13-8-14-7(10)15-9(16-8)17-4-11-3-12-17/h3-6H,2H2,1H3,(H3,10,13,14,15,16).
What are the key properties of 2-N-(2-methylcyclopropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
2-N-(2-methylcyclopropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 232.25 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylcyclopropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80826675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).