N-[(2-pyridin-4-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine

C11H15N5 — CID 107447540

IUPACN-[(2-pyridin-4-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ncnn1-c1ccncc1
InChIInChI=1S/C11H15N5/c1-9(2)13-7-11-14-8-15-16(11)10-3-5-12-6-4-10/h3-6,8-9,13H,7H2,1-2H3
InChIKeyIVPMLMZEDKRGFC-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.16
Rot. Bonds4

About N-[(2-pyridin-4-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine

N-[(2-pyridin-4-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine (PubChem CID 107447540) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-[(2-pyridin-4-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-pyridin-4-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine
PubChem CID107447540
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-[(2-pyridin-4-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ncnn1-c1ccncc1
InChIInChI=1S/C11H15N5/c1-9(2)13-7-11-14-8-15-16(11)10-3-5-12-6-4-10/h3-6,8-9,13H,7H2,1-2H3
InChIKeyIVPMLMZEDKRGFC-UHFFFAOYSA-N
XLogP1.16
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 62696832
(1R)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-pyridin-4-ylethanamine
CID 81409705
4-(2-pyridin-4-yl-1,2,4-triazol-3-yl)pyridine
CID 40516054
2-methyl-N-[[2-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 107447443
3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
CID 115681286
2-methyl-N-[[2-(3,4,5-trifluorophenyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 107447657
N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 55109238
1-phenyl-5-propyl-1,2,4-triazole
CID 130383396
N'-propan-2-yl-N-pyridin-4-ylethane-1,2-diamine
CID 62662678
N-[[2-[(3-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine
CID 103041255
N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)propan-2-amine
CID 60836562
2-methyl-N-propan-2-yl-2-pyridin-4-ylpropan-1-amine
CID 80525312

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-4-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2-pyridin-4-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine (CID 107447540) is N-[(2-pyridin-4-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-pyridin-4-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-pyridin-4-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine is CC(C)NCc1ncnn1-c1ccncc1.
What is the InChIKey of N-[(2-pyridin-4-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
The InChIKey is IVPMLMZEDKRGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-9(2)13-7-11-14-8-15-16(11)10-3-5-12-6-4-10/h3-6,8-9,13H,7H2,1-2H3.
What are the key properties of N-[(2-pyridin-4-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
N-[(2-pyridin-4-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine has a molecular weight of 217.28 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-4-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 107447540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).