[4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine

C11H15N5 — CID 114325434

IUPAC[4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine
SMILESCCn1c(C)nnc1-c1ccnc(CN)c1
InChIInChI=1S/C11H15N5/c1-3-16-8(2)14-15-11(16)9-4-5-13-10(6-9)7-12/h4-6H,3,7,12H2,1-2H3
InChIKeyAUQRSLQQIGOFBP-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.13
Rot. Bonds3

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

[4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine (PubChem CID 114325434) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is [4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine
PubChem CID114325434
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name[4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine
SMILESCCn1c(C)nnc1-c1ccnc(CN)c1
InChIInChI=1S/C11H15N5/c1-3-16-8(2)14-15-11(16)9-4-5-13-10(6-9)7-12/h4-6H,3,7,12H2,1-2H3
InChIKeyAUQRSLQQIGOFBP-UHFFFAOYSA-N
XLogP1.13
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597554
[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine
CID 114325438
[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]methanamine
CID 114324859
[4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-pyridinyl]methanamine
CID 114324856
[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]methanamine
CID 114324602
[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 112593445
ethane;(4-methyl-2-pyridinyl)methanamine
CID 142030002
[4-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)-2-pyridinyl]methanamine
CID 136966172
[4-(3-phenylphenyl)-2-pyridinyl]methanamine
CID 177019282
[4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-2-pyridinyl]methanamine
CID 114324638
[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine
CID 114325427
3-(5-methyl-4-propyl-1,2,4-triazol-3-yl)aniline
CID 61376254

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine (CID 114325434) is [4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine is CCn1c(C)nnc1-c1ccnc(CN)c1.
What is the InChIKey of [4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine?
The InChIKey is AUQRSLQQIGOFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-3-16-8(2)14-15-11(16)9-4-5-13-10(6-9)7-12/h4-6H,3,7,12H2,1-2H3.
What are the key properties of [4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine?
[4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine has a molecular weight of 217.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 114325434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).