(3-amino-1H-1,2,4-triazol-5-yl)-(4-methylpiperidin-1-yl)methanone

C9H15N5O — CID 62807329

IUPAC(3-amino-1H-1,2,4-triazol-5-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2nc(N)n[nH]2)CC1
InChIInChI=1S/C9H15N5O/c1-6-2-4-14(5-3-6)8(15)7-11-9(10)13-12-7/h6H,2-5H2,1H3,(H3,10,11,12,13)
InChIKeyWGXYLZUMHZBFNS-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.26
Rot. Bonds1

About (3-amino-1H-1,2,4-triazol-5-yl)-(4-methylpiperidin-1-yl)methanone

(3-amino-1H-1,2,4-triazol-5-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 62807329) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is (3-amino-1H-1,2,4-triazol-5-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-1H-1,2,4-triazol-5-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID62807329
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name(3-amino-1H-1,2,4-triazol-5-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2nc(N)n[nH]2)CC1
InChIInChI=1S/C9H15N5O/c1-6-2-4-14(5-3-6)8(15)7-11-9(10)13-12-7/h6H,2-5H2,1H3,(H3,10,11,12,13)
InChIKeyWGXYLZUMHZBFNS-UHFFFAOYSA-N
XLogP0.26
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-1,2,4-triazol-5-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-1H-1,2,4-triazol-5-yl)-(4-methylpiperidin-1-yl)methanone (CID 62807329) is (3-amino-1H-1,2,4-triazol-5-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-1H-1,2,4-triazol-5-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-1H-1,2,4-triazol-5-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2nc(N)n[nH]2)CC1.
What is the InChIKey of (3-amino-1H-1,2,4-triazol-5-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is WGXYLZUMHZBFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-6-2-4-14(5-3-6)8(15)7-11-9(10)13-12-7/h6H,2-5H2,1H3,(H3,10,11,12,13).
What are the key properties of (3-amino-1H-1,2,4-triazol-5-yl)-(4-methylpiperidin-1-yl)methanone?
(3-amino-1H-1,2,4-triazol-5-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 209.25 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-1,2,4-triazol-5-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 62807329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).