N-[[6-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methyl]cyclopropanamine

C12H15N5 — CID 106907359

IUPACN-[[6-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)nc(Cn2cncn2)c1
InChIInChI=1S/C12H15N5/c1-2-11(6-14-10-4-5-10)16-12(3-1)7-17-9-13-8-15-17/h1-3,8-10,14H,4-7H2
InChIKeyKZTLWKYJOGLLSD-UHFFFAOYSA-N
MW229.29 g/mol
LogP0.97
Rot. Bonds5

About N-[[6-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methyl]cyclopropanamine

N-[[6-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 106907359) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-[[6-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID106907359
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC NameN-[[6-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)nc(Cn2cncn2)c1
InChIInChI=1S/C12H15N5/c1-2-11(6-14-10-4-5-10)16-12(3-1)7-17-9-13-8-15-17/h1-3,8-10,14H,4-7H2
InChIKeyKZTLWKYJOGLLSD-UHFFFAOYSA-N
XLogP0.97
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methyl]cyclopropanamine (CID 106907359) is N-[[6-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methyl]cyclopropanamine is c1cc(CNC2CC2)nc(Cn2cncn2)c1.
What is the InChIKey of N-[[6-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is KZTLWKYJOGLLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-2-11(6-14-10-4-5-10)16-12(3-1)7-17-9-13-8-15-17/h1-3,8-10,14H,4-7H2.
What are the key properties of N-[[6-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 229.29 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 106907359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).