N-[[3-(2-methyl-3-pyridinyl)triazol-4-yl]methyl]cyclopropanamine

C12H15N5 — CID 112742012

IUPACN-[[3-(2-methyl-3-pyridinyl)triazol-4-yl]methyl]cyclopropanamine
SMILESCc1ncccc1-n1nncc1CNC1CC1
InChIInChI=1S/C12H15N5/c1-9-12(3-2-6-13-9)17-11(8-15-16-17)7-14-10-4-5-10/h2-3,6,8,10,14H,4-5,7H2,1H3
InChIKeyCGZQCBSQAXZTFP-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.22
Rot. Bonds4

About N-[[3-(2-methyl-3-pyridinyl)triazol-4-yl]methyl]cyclopropanamine

N-[[3-(2-methyl-3-pyridinyl)triazol-4-yl]methyl]cyclopropanamine (PubChem CID 112742012) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-[[3-(2-methyl-3-pyridinyl)triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2-methyl-3-pyridinyl)triazol-4-yl]methyl]cyclopropanamine
PubChem CID112742012
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC NameN-[[3-(2-methyl-3-pyridinyl)triazol-4-yl]methyl]cyclopropanamine
SMILESCc1ncccc1-n1nncc1CNC1CC1
InChIInChI=1S/C12H15N5/c1-9-12(3-2-6-13-9)17-11(8-15-16-17)7-14-10-4-5-10/h2-3,6,8,10,14H,4-5,7H2,1H3
InChIKeyCGZQCBSQAXZTFP-UHFFFAOYSA-N
XLogP1.22
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(2-fluoro-4-methylphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 107451270
N-[[3-(4-bromo-2-ethylphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 107451798
N-[[3-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]cyclopropanamine
CID 107465468
N-[[3-(5-bromo-2,4-difluorophenyl)triazol-4-yl]methyl]cyclopropanamine
CID 107451930
N-[[3-(1-propan-2-ylpyrazol-3-yl)triazol-4-yl]methyl]cyclopropanamine
CID 114250955
N-[[3-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methyl]cyclopropanamine
CID 107451258
N-[(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 61272914
N-cyclopropyl-1-(2-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 79043433
N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
CID 63305574
N-[[4,6-dimethyl-2-(3-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62746699
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methyl-3-pyridinyl)triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2-methyl-3-pyridinyl)triazol-4-yl]methyl]cyclopropanamine (CID 112742012) is N-[[3-(2-methyl-3-pyridinyl)triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2-methyl-3-pyridinyl)triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2-methyl-3-pyridinyl)triazol-4-yl]methyl]cyclopropanamine is Cc1ncccc1-n1nncc1CNC1CC1.
What is the InChIKey of N-[[3-(2-methyl-3-pyridinyl)triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is CGZQCBSQAXZTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-9-12(3-2-6-13-9)17-11(8-15-16-17)7-14-10-4-5-10/h2-3,6,8,10,14H,4-5,7H2,1H3.
What are the key properties of N-[[3-(2-methyl-3-pyridinyl)triazol-4-yl]methyl]cyclopropanamine?
N-[[3-(2-methyl-3-pyridinyl)triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 229.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methyl-3-pyridinyl)triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 112742012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).