[2-[3-(1H-1,2,4-triazol-5-yl)propoxy]-4-pyridinyl]methanamine

C11H15N5O — CID 143448905

IUPAC[2-[3-(1H-1,2,4-triazol-5-yl)propoxy]-4-pyridinyl]methanamine
SMILESNCc1ccnc(OCCCc2ncn[nH]2)c1
InChIInChI=1S/C11H15N5O/c12-7-9-3-4-13-11(6-9)17-5-1-2-10-14-8-15-16-10/h3-4,6,8H,1-2,5,7,12H2,(H,14,15,16)
InChIKeyKBRRYANWRNBRKQ-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.67
Rot. Bonds6

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

[2-[3-(1H-1,2,4-triazol-5-yl)propoxy]-4-pyridinyl]methanamine (PubChem CID 143448905) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is [2-[3-(1H-1,2,4-triazol-5-yl)propoxy]-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[3-(1H-1,2,4-triazol-5-yl)propoxy]-4-pyridinyl]methanamine
PubChem CID143448905
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name[2-[3-(1H-1,2,4-triazol-5-yl)propoxy]-4-pyridinyl]methanamine
SMILESNCc1ccnc(OCCCc2ncn[nH]2)c1
InChIInChI=1S/C11H15N5O/c12-7-9-3-4-13-11(6-9)17-5-1-2-10-14-8-15-16-10/h3-4,6,8H,1-2,5,7,12H2,(H,14,15,16)
InChIKeyKBRRYANWRNBRKQ-UHFFFAOYSA-N
XLogP0.67
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 43839997
3-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 86072888
4-methoxy-3-(1H-1,2,4-triazol-3-yl)-2-pyridinyl phenyl ether
CID 1488697
2-isobutoxy-5-(5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl)pyridine
CID 46882214
4-(3-(6-isobutoxypyridin-3-yl)-1H-1,2,4-triazol-5-yl)-2-methylpyridine
CID 46882215
4-(3-(6-isobutoxypyridin-3-yl)-1H-1,2,4-triazol-5-yl)picolinonitrile
CID 46882216
2-isobutoxy-4-(3-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-5-yl)pyridine
CID 46882290
4-[5-(2-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile
CID 46882292
2-(4-fluorophenoxy)-4-methoxy-3-(1H-1,2,4-triazol-3-yl)pyridine
CID 1475636
2-{3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazol-5-yl}pyridine
CID 2501099
2-[5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine
CID 2501103
4-{3-[(3-chlorophenoxy)methyl]-1H-1,2,4-triazol-5-yl}pyridine
CID 2766553

Frequently Asked Questions

What is the IUPAC name of [2-[3-(1H-1,2,4-triazol-5-yl)propoxy]-4-pyridinyl]methanamine?
The IUPAC name of [2-[3-(1H-1,2,4-triazol-5-yl)propoxy]-4-pyridinyl]methanamine (CID 143448905) is [2-[3-(1H-1,2,4-triazol-5-yl)propoxy]-4-pyridinyl]methanamine.
What is the SMILES notation for [2-[3-(1H-1,2,4-triazol-5-yl)propoxy]-4-pyridinyl]methanamine?
The canonical SMILES for [2-[3-(1H-1,2,4-triazol-5-yl)propoxy]-4-pyridinyl]methanamine is NCc1ccnc(OCCCc2ncn[nH]2)c1.
What is the InChIKey of [2-[3-(1H-1,2,4-triazol-5-yl)propoxy]-4-pyridinyl]methanamine?
The InChIKey is KBRRYANWRNBRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c12-7-9-3-4-13-11(6-9)17-5-1-2-10-14-8-15-16-10/h3-4,6,8H,1-2,5,7,12H2,(H,14,15,16).
What are the key properties of [2-[3-(1H-1,2,4-triazol-5-yl)propoxy]-4-pyridinyl]methanamine?
[2-[3-(1H-1,2,4-triazol-5-yl)propoxy]-4-pyridinyl]methanamine has a molecular weight of 233.28 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(1H-1,2,4-triazol-5-yl)propoxy]-4-pyridinyl]methanamine is sourced from PubChem (CID 143448905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).