5-[[[(1S)-1-cyclopentylpropyl]amino]methyl]-1H-1,2,4-triazol-3-amine

C11H21N5 — CID 125437424

IUPAC5-[[[(1S)-1-cyclopentylpropyl]amino]methyl]-1H-1,2,4-triazol-3-amine
SMILESCC[C@H](NCc1nc(N)n[nH]1)C1CCCC1
InChIInChI=1S/C11H21N5/c1-2-9(8-5-3-4-6-8)13-7-10-14-11(12)16-15-10/h8-9,13H,2-7H2,1H3,(H3,12,14,15,16)/t9-/m0/s1
InChIKeyJFHOAYCCNCJWBV-VIFPVBQESA-N
MW223.32 g/mol
LogP1.45
Rot. Bonds5

About 5-[[[(1S)-1-cyclopentylpropyl]amino]methyl]-1H-1,2,4-triazol-3-amine

5-[[[(1S)-1-cyclopentylpropyl]amino]methyl]-1H-1,2,4-triazol-3-amine (PubChem CID 125437424) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-[[[(1S)-1-cyclopentylpropyl]amino]methyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[[[(1S)-1-cyclopentylpropyl]amino]methyl]-1H-1,2,4-triazol-3-amine
PubChem CID125437424
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name5-[[[(1S)-1-cyclopentylpropyl]amino]methyl]-1H-1,2,4-triazol-3-amine
SMILESCC[C@H](NCc1nc(N)n[nH]1)C1CCCC1
InChIInChI=1S/C11H21N5/c1-2-9(8-5-3-4-6-8)13-7-10-14-11(12)16-15-10/h8-9,13H,2-7H2,1H3,(H3,12,14,15,16)/t9-/m0/s1
InChIKeyJFHOAYCCNCJWBV-VIFPVBQESA-N
XLogP1.45
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[[(1S)-1-cyclopentylpropyl]amino]methyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[[[(1S)-1-cyclopentylpropyl]amino]methyl]-1H-1,2,4-triazol-3-amine (CID 125437424) is 5-[[[(1S)-1-cyclopentylpropyl]amino]methyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[[[(1S)-1-cyclopentylpropyl]amino]methyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[[[(1S)-1-cyclopentylpropyl]amino]methyl]-1H-1,2,4-triazol-3-amine is CC[C@H](NCc1nc(N)n[nH]1)C1CCCC1.
What is the InChIKey of 5-[[[(1S)-1-cyclopentylpropyl]amino]methyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is JFHOAYCCNCJWBV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21N5/c1-2-9(8-5-3-4-6-8)13-7-10-14-11(12)16-15-10/h8-9,13H,2-7H2,1H3,(H3,12,14,15,16)/t9-/m0/s1.
What are the key properties of 5-[[[(1S)-1-cyclopentylpropyl]amino]methyl]-1H-1,2,4-triazol-3-amine?
5-[[[(1S)-1-cyclopentylpropyl]amino]methyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 223.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1S)-1-cyclopentylpropyl]amino]methyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 125437424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).