[2-(aminomethyl)-4-methylpiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone

C10H17N5O — CID 103440862

IUPAC[2-(aminomethyl)-4-methylpiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESCC1CCN(C(=O)c2ncn[nH]2)C(CN)C1
InChIInChI=1S/C10H17N5O/c1-7-2-3-15(8(4-7)5-11)10(16)9-12-6-13-14-9/h6-8H,2-5,11H2,1H3,(H,12,13,14)
InChIKeyFYCGQCILEUYDHZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.00
Rot. Bonds2

About [2-(aminomethyl)-4-methylpiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone

[2-(aminomethyl)-4-methylpiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 103440862) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methylpiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methylpiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID103440862
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name[2-(aminomethyl)-4-methylpiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESCC1CCN(C(=O)c2ncn[nH]2)C(CN)C1
InChIInChI=1S/C10H17N5O/c1-7-2-3-15(8(4-7)5-11)10(16)9-12-6-13-14-9/h6-8H,2-5,11H2,1H3,(H,12,13,14)
InChIKeyFYCGQCILEUYDHZ-UHFFFAOYSA-N
XLogP0.00
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone (CID 103440862) is [2-(aminomethyl)-4-methylpiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methylpiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methylpiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone is CC1CCN(C(=O)c2ncn[nH]2)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is FYCGQCILEUYDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-7-2-3-15(8(4-7)5-11)10(16)9-12-6-13-14-9/h6-8H,2-5,11H2,1H3,(H,12,13,14).
What are the key properties of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 223.28 g/mol, XLogP of 0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methylpiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 103440862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).