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

C9H14N4O — CID 5102702

IUPAC(3-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESCC1CCCN(C(=O)c2ncn[nH]2)C1
InChIInChI=1S/C9H14N4O/c1-7-3-2-4-13(5-7)9(14)8-10-6-11-12-8/h6-7H,2-5H2,1H3,(H,10,11,12)
InChIKeyIQDUMTJWGHIDSI-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.68
Rot. Bonds1

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

(3-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 5102702) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID5102702
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name(3-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESCC1CCCN(C(=O)c2ncn[nH]2)C1
InChIInChI=1S/C9H14N4O/c1-7-3-2-4-13(5-7)9(14)8-10-6-11-12-8/h6-7H,2-5H2,1H3,(H,10,11,12)
InChIKeyIQDUMTJWGHIDSI-UHFFFAOYSA-N
XLogP0.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone (CID 5102702) is (3-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone is CC1CCCN(C(=O)c2ncn[nH]2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is IQDUMTJWGHIDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-7-3-2-4-13(5-7)9(14)8-10-6-11-12-8/h6-7H,2-5H2,1H3,(H,10,11,12).
What are the key properties of (3-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
(3-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 194.24 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 5102702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).