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

C12H18N8 — CID 80772602

IUPAC2-N-cycloheptyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NC2CCCCCC2)nc(-n2cncn2)n1
InChIInChI=1S/C12H18N8/c13-10-17-11(16-9-5-3-1-2-4-6-9)19-12(18-10)20-8-14-7-15-20/h7-9H,1-6H2,(H3,13,16,17,18,19)
InChIKeySJYVMRYUGYOOAE-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.17
Rot. Bonds3

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

2-N-cycloheptyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80772602) has the molecular formula C12H18N8 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-N-cycloheptyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cycloheptyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80772602
Molecular FormulaC12H18N8
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name2-N-cycloheptyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NC2CCCCCC2)nc(-n2cncn2)n1
InChIInChI=1S/C12H18N8/c13-10-17-11(16-9-5-3-1-2-4-6-9)19-12(18-10)20-8-14-7-15-20/h7-9H,1-6H2,(H3,13,16,17,18,19)
InChIKeySJYVMRYUGYOOAE-UHFFFAOYSA-N
XLogP1.17
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-chloro-N-cyclohexyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62869193
N-cyclobutyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80918885
2-N-(2-methylcyclopropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80826675
2-N-(2-methoxycyclopentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80818031
2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80766436
[4-cyclohexyloxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80909888
4-chloro-N-(3-methylcyclohexyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62863333
4-chloro-N-(1-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62864589
4-(4-ethoxypiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80776487
2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80835736
N-(1,1-dioxothiolan-3-yl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80912949
2-N-benzyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80770243

Frequently Asked Questions

What is the IUPAC name of 2-N-cycloheptyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cycloheptyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 80772602) is 2-N-cycloheptyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cycloheptyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cycloheptyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is Nc1nc(NC2CCCCCC2)nc(-n2cncn2)n1.
What is the InChIKey of 2-N-cycloheptyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SJYVMRYUGYOOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8/c13-10-17-11(16-9-5-3-1-2-4-6-9)19-12(18-10)20-8-14-7-15-20/h7-9H,1-6H2,(H3,13,16,17,18,19).
What are the key properties of 2-N-cycloheptyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
2-N-cycloheptyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 274.33 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cycloheptyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80772602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).