N-(3,3-dimethylbutyl)-4-(triazol-1-yl)pyridin-3-amine

C13H19N5 — CID 167782355

IUPACN-(3,3-dimethylbutyl)-4-(triazol-1-yl)pyridin-3-amine
SMILESCC(C)(C)CCNc1cnccc1-n1ccnn1
InChIInChI=1S/C13H19N5/c1-13(2,3)5-7-15-11-10-14-6-4-12(11)18-9-8-16-17-18/h4,6,8-10,15H,5,7H2,1-3H3
InChIKeySSRKDTLFNCSGOV-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.51
Rot. Bonds4

About N-(3,3-dimethylbutyl)-4-(triazol-1-yl)pyridin-3-amine

N-(3,3-dimethylbutyl)-4-(triazol-1-yl)pyridin-3-amine (PubChem CID 167782355) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-4-(triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-4-(triazol-1-yl)pyridin-3-amine
PubChem CID167782355
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-(3,3-dimethylbutyl)-4-(triazol-1-yl)pyridin-3-amine
SMILESCC(C)(C)CCNc1cnccc1-n1ccnn1
InChIInChI=1S/C13H19N5/c1-13(2,3)5-7-15-11-10-14-6-4-12(11)18-9-8-16-17-18/h4,6,8-10,15H,5,7H2,1-3H3
InChIKeySSRKDTLFNCSGOV-UHFFFAOYSA-N
XLogP2.51
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(triazol-1-yl)pyridin-4-amine
CID 84651204
3-chloro-2,2-dimethyl-N-[2-(triazol-1-yl)phenyl]propanamide
CID 63678665
1-[4-(5,5-dimethylhexyl)phenyl]triazole
CID 59154632
3-(triazol-1-yl)pyridine-4-carboxylic acid
CID 84662416
3-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide
CID 115645903
3-bromo-N-[3-(triazol-1-yl)propyl]pyridin-4-amine
CID 104777254
6-[[2-(triazol-1-yl)anilino]methyl]pyridin-3-ol
CID 79775616
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(triazol-1-yl)aniline
CID 66163095
N-(3,3-dimethylbutyl)quinolin-8-amine
CID 62965994
N,4,4-trimethyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 114878064
1-(3-iodo-2-methylphenyl)triazole
CID 155330086
N-(1-methylsulfonylpropan-2-yl)-2-(triazol-1-yl)aniline
CID 64630327

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-4-(triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-4-(triazol-1-yl)pyridin-3-amine (CID 167782355) is N-(3,3-dimethylbutyl)-4-(triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-4-(triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-4-(triazol-1-yl)pyridin-3-amine is CC(C)(C)CCNc1cnccc1-n1ccnn1.
What is the InChIKey of N-(3,3-dimethylbutyl)-4-(triazol-1-yl)pyridin-3-amine?
The InChIKey is SSRKDTLFNCSGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-13(2,3)5-7-15-11-10-14-6-4-12(11)18-9-8-16-17-18/h4,6,8-10,15H,5,7H2,1-3H3.
What are the key properties of N-(3,3-dimethylbutyl)-4-(triazol-1-yl)pyridin-3-amine?
N-(3,3-dimethylbutyl)-4-(triazol-1-yl)pyridin-3-amine has a molecular weight of 245.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-4-(triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 167782355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).