N-[3-(triazol-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C11H13N7 — CID 113412975

IUPACN-[3-(triazol-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESc1ccn2nc(NCCCn3ccnn3)nc2c1
InChIInChI=1S/C11H13N7/c1-2-8-18-10(4-1)14-11(15-18)12-5-3-7-17-9-6-13-16-17/h1-2,4,6,8-9H,3,5,7H2,(H,12,15)
InChIKeyNMQKZQBDONBMOS-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.82
Rot. Bonds5

About N-[3-(triazol-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[3-(triazol-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 113412975) has the molecular formula C11H13N7 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[3-(triazol-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[3-(triazol-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID113412975
Molecular FormulaC11H13N7
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC NameN-[3-(triazol-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESc1ccn2nc(NCCCn3ccnn3)nc2c1
InChIInChI=1S/C11H13N7/c1-2-8-18-10(4-1)14-11(15-18)12-5-3-7-17-9-6-13-16-17/h1-2,4,6,8-9H,3,5,7H2,(H,12,15)
InChIKeyNMQKZQBDONBMOS-UHFFFAOYSA-N
XLogP0.82
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)ethylamino]propan-2-ol
CID 113430486
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
2-methyl-3-N-[3-(triazol-1-yl)propyl]benzene-1,3-diamine
CID 113412414
N-[2-(2-methylprop-2-enoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114468905
1-(3-phenylpropyl)triazole
CID 12811434
3-bromo-N-[3-(triazol-1-yl)propyl]pyridin-4-amine
CID 104777254
(2R)-2-phenyl-N-[3-(triazol-1-yl)propyl]propan-1-amine
CID 99615717
N-(1,2,4-oxadiazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106403533
3-(benzenesulfonyl)-N-[3-(triazol-1-yl)propyl]propanamide
CID 91829405
3-methyl-2-phenyl-N-[3-(triazol-1-yl)propyl]butan-1-amine
CID 107876383
3-N-[2-(triazol-1-yl)ethyl]quinoxaline-2,3-diamine
CID 102987204
3-N-methyl-5-N-[3-(triazol-1-yl)propyl]pyridine-3,5-diamine
CID 113424266

Frequently Asked Questions

What is the IUPAC name of N-[3-(triazol-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[3-(triazol-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 113412975) is N-[3-(triazol-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[3-(triazol-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[3-(triazol-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is c1ccn2nc(NCCCn3ccnn3)nc2c1.
What is the InChIKey of N-[3-(triazol-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is NMQKZQBDONBMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7/c1-2-8-18-10(4-1)14-11(15-18)12-5-3-7-17-9-6-13-16-17/h1-2,4,6,8-9H,3,5,7H2,(H,12,15).
What are the key properties of N-[3-(triazol-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[3-(triazol-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 243.27 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(triazol-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 113412975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).