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

C12H18N8 — CID 80766913

IUPACN-propyl-4-pyrrolidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCCNc1nc(N2CCCC2)nc(-n2cncn2)n1
InChIInChI=1S/C12H18N8/c1-2-5-14-10-16-11(19-6-3-4-7-19)18-12(17-10)20-9-13-8-15-20/h8-9H,2-7H2,1H3,(H,14,16,17,18)
InChIKeyFSAZQVZOEBNZMO-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.87
Rot. Bonds5

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

N-propyl-4-pyrrolidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80766913) has the molecular formula C12H18N8 and a molecular weight of 274.33 g/mol. Its IUPAC name is N-propyl-4-pyrrolidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-propyl-4-pyrrolidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80766913
Molecular FormulaC12H18N8
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC NameN-propyl-4-pyrrolidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCCNc1nc(N2CCCC2)nc(-n2cncn2)n1
InChIInChI=1S/C12H18N8/c1-2-5-14-10-16-11(19-6-3-4-7-19)18-12(17-10)20-9-13-8-15-20/h8-9H,2-7H2,1H3,(H,14,16,17,18)
InChIKeyFSAZQVZOEBNZMO-UHFFFAOYSA-N
XLogP0.87
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-propyl-4-pyrrolidin-1-yl-6-(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

N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853504
2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80765612
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
4-cyclopentylsulfanyl-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80887621
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
N,N'-bis[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]ethane-1,2-diamine
CID 15333325

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-pyrrolidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-propyl-4-pyrrolidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 80766913) is N-propyl-4-pyrrolidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-propyl-4-pyrrolidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-propyl-4-pyrrolidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CCCNc1nc(N2CCCC2)nc(-n2cncn2)n1.
What is the InChIKey of N-propyl-4-pyrrolidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is FSAZQVZOEBNZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8/c1-2-5-14-10-16-11(19-6-3-4-7-19)18-12(17-10)20-9-13-8-15-20/h8-9H,2-7H2,1H3,(H,14,16,17,18).
What are the key properties of N-propyl-4-pyrrolidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
N-propyl-4-pyrrolidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 274.33 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-pyrrolidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80766913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).