N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C10H12N10 — CID 80853504

IUPACN-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCCNc1nc(-n2cncn2)nc(-n2cncn2)n1
InChIInChI=1S/C10H12N10/c1-2-3-13-8-16-9(19-6-11-4-14-19)18-10(17-8)20-7-12-5-15-20/h4-7H,2-3H2,1H3,(H,13,16,17,18)
InChIKeyJTVXZQLDDVPWIA-UHFFFAOYSA-N
MW272.28 g/mol
LogP-0.15
Rot. Bonds5

About N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80853504) has the molecular formula C10H12N10 and a molecular weight of 272.28 g/mol. Its IUPAC name is N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80853504
Molecular FormulaC10H12N10
Molecular Weight272.28 g/mol
Exact Mass272.12
IUPAC NameN-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCCNc1nc(-n2cncn2)nc(-n2cncn2)n1
InChIInChI=1S/C10H12N10/c1-2-3-13-8-16-9(19-6-11-4-14-19)18-10(17-8)20-7-12-5-15-20/h4-7H,2-3H2,1H3,(H,13,16,17,18)
InChIKeyJTVXZQLDDVPWIA-UHFFFAOYSA-N
XLogP-0.15
TPSA112.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80765612
N-propyl-4-pyrrolidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80766913
2-N-(3-methylbutyl)-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80771756
2-N-(2-methylsulfanylethyl)-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80839383
2-N-(2-methoxyethyl)-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80765193
2-N-pentan-3-yl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80750141
3-[[4-(propylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide
CID 80775795
4-N-methyl-4-N-propan-2-yl-2-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80764201
4-butan-2-ylsulfanyl-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80887639
4-N-methyl-2-N-pentyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80785739
4-(2-methylbutylsulfanyl)-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 107765721
4-cyclopentylsulfanyl-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80887621

Frequently Asked Questions

What is the IUPAC name of N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 80853504) is N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CCCNc1nc(-n2cncn2)nc(-n2cncn2)n1.
What is the InChIKey of N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is JTVXZQLDDVPWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N10/c1-2-3-13-8-16-9(19-6-11-4-14-19)18-10(17-8)20-7-12-5-15-20/h4-7H,2-3H2,1H3,(H,13,16,17,18).
What are the key properties of N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 272.28 g/mol, XLogP of -0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80853504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).