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

C8H15N5 — CID 107072621

IUPAC5-(3-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine
SMILESCC1CCCNC1c1nc(N)n[nH]1
InChIInChI=1S/C8H15N5/c1-5-3-2-4-10-6(5)7-11-8(9)13-12-7/h5-6,10H,2-4H2,1H3,(H3,9,11,12,13)
InChIKeyTYNBTIMLCDVNOL-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.45
Rot. Bonds1

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

5-(3-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 107072621) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(3-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine
PubChem CID107072621
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name5-(3-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine
SMILESCC1CCCNC1c1nc(N)n[nH]1
InChIInChI=1S/C8H15N5/c1-5-3-2-4-10-6(5)7-11-8(9)13-12-7/h5-6,10H,2-4H2,1H3,(H3,9,11,12,13)
InChIKeyTYNBTIMLCDVNOL-UHFFFAOYSA-N
XLogP0.45
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine (CID 107072621) is 5-(3-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine is CC1CCCNC1c1nc(N)n[nH]1.
What is the InChIKey of 5-(3-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is TYNBTIMLCDVNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-5-3-2-4-10-6(5)7-11-8(9)13-12-7/h5-6,10H,2-4H2,1H3,(H3,9,11,12,13).
What are the key properties of 5-(3-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine?
5-(3-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 181.24 g/mol, XLogP of 0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 107072621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).