N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-(2-methyl-3-pyridinyl)methanamine

C13H19N5 — CID 126819547

IUPACN-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-(2-methyl-3-pyridinyl)methanamine
SMILESCCn1nc(C)c(CNCc2cccnc2C)n1
InChIInChI=1S/C13H19N5/c1-4-18-16-11(3)13(17-18)9-14-8-12-6-5-7-15-10(12)2/h5-7,14H,4,8-9H2,1-3H3
InChIKeyMFPVVJCGDSMAHQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.60
Rot. Bonds5

About N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-(2-methyl-3-pyridinyl)methanamine

N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-(2-methyl-3-pyridinyl)methanamine (PubChem CID 126819547) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-(2-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-(2-methyl-3-pyridinyl)methanamine
PubChem CID126819547
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-(2-methyl-3-pyridinyl)methanamine
SMILESCCn1nc(C)c(CNCc2cccnc2C)n1
InChIInChI=1S/C13H19N5/c1-4-18-16-11(3)13(17-18)9-14-8-12-6-5-7-15-10(12)2/h5-7,14H,4,8-9H2,1-3H3
InChIKeyMFPVVJCGDSMAHQ-UHFFFAOYSA-N
XLogP1.60
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1H-1,2,3-triazol-4-yl)pyridine
CID 9942176
N-(2-benzyl),N-(1-methylpyrrol-2-ylmethyl)amine
CID 2222065
3-(1H-pyrazol-5-yl)pyridine
CID 7074967
2-(1h-[1,2,3]Triazol-4-yl)pyridine
CID 9812807
1,2,3-Triazole analogue, 27
CID 9833992
3-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9877457
5-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9942221
2-methyl-6-(1H-1,2,3-triazol-5-yl)pyridine
CID 9964176
4-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9964177
(3-(pyridin-3-yl)-1H-pyrazol-5-yl)methanamine
CID 11993870
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
(1S,3R)-N-((1-ethyl-5-(5-fluoro-6-methylpyridin-3-yl)-4-methyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270907

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-(2-methyl-3-pyridinyl)methanamine?
The IUPAC name of N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-(2-methyl-3-pyridinyl)methanamine (CID 126819547) is N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-(2-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-(2-methyl-3-pyridinyl)methanamine?
The canonical SMILES for N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-(2-methyl-3-pyridinyl)methanamine is CCn1nc(C)c(CNCc2cccnc2C)n1.
What is the InChIKey of N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-(2-methyl-3-pyridinyl)methanamine?
The InChIKey is MFPVVJCGDSMAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-18-16-11(3)13(17-18)9-14-8-12-6-5-7-15-10(12)2/h5-7,14H,4,8-9H2,1-3H3.
What are the key properties of N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-(2-methyl-3-pyridinyl)methanamine?
N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-(2-methyl-3-pyridinyl)methanamine has a molecular weight of 245.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-(2-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 126819547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).