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

C12H17N5 — CID 66194729

IUPACN-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(Cc2cccnc2)nn1
InChIInChI=1S/C12H17N5/c1-10(2)14-7-12-9-17(16-15-12)8-11-4-3-5-13-6-11/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeySHNWJYNZYZRTJL-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.22
Rot. Bonds5

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

N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]propan-2-amine (PubChem CID 66194729) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]propan-2-amine
PubChem CID66194729
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(Cc2cccnc2)nn1
InChIInChI=1S/C12H17N5/c1-10(2)14-7-12-9-17(16-15-12)8-11-4-3-5-13-6-11/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeySHNWJYNZYZRTJL-UHFFFAOYSA-N
XLogP1.22
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 104813415
N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]pyrazin-2-amine
CID 99795955
N-[[1-[(4-methylsulfanylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 66194730
3-[[4-(1-chloroethyl)triazol-1-yl]methyl]pyridine
CID 81449718
N-[[1-[(2-methylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 66192029
N-[[1-(2-pyridin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine
CID 66192988
N-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 114934975
2-[1-pyridin-2-yl-2-[1-(pyridin-3-ylmethyl)triazol-4-yl]ethyl]pyridine
CID 66830045
N-[[1-[(4-chloro-3-fluorophenyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 107889086
N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]propan-2-amine
CID 66193959
(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]oxan-3-amine
CID 129003334
3-[[4-(diethoxymethyl)triazol-1-yl]methyl]pyridine
CID 66216761

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]propan-2-amine (CID 66194729) is N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(Cc2cccnc2)nn1.
What is the InChIKey of N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]propan-2-amine?
The InChIKey is SHNWJYNZYZRTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-10(2)14-7-12-9-17(16-15-12)8-11-4-3-5-13-6-11/h3-6,9-10,14H,7-8H2,1-2H3.
What are the key properties of N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]propan-2-amine?
N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]propan-2-amine has a molecular weight of 231.30 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66194729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).