5-[2-[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]ethyl]-1H-1,2,4-triazol-3-amine

C11H19N7 — CID 125437408

IUPAC5-[2-[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]ethyl]-1H-1,2,4-triazol-3-amine
SMILESC[C@H](CCn1cccn1)NCCc1nc(N)n[nH]1
InChIInChI=1S/C11H19N7/c1-9(4-8-18-7-2-5-14-18)13-6-3-10-15-11(12)17-16-10/h2,5,7,9,13H,3-4,6,8H2,1H3,(H3,12,15,16,17)/t9-/m1/s1
InChIKeyZWGIUYPRVGSVTA-SECBINFHSA-N
MW249.32 g/mol
LogP0.19
Rot. Bonds7

About 5-[2-[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]ethyl]-1H-1,2,4-triazol-3-amine

5-[2-[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]ethyl]-1H-1,2,4-triazol-3-amine (PubChem CID 125437408) has the molecular formula C11H19N7 and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-[2-[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]ethyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[2-[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]ethyl]-1H-1,2,4-triazol-3-amine
PubChem CID125437408
Molecular FormulaC11H19N7
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Name5-[2-[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]ethyl]-1H-1,2,4-triazol-3-amine
SMILESC[C@H](CCn1cccn1)NCCc1nc(N)n[nH]1
InChIInChI=1S/C11H19N7/c1-9(4-8-18-7-2-5-14-18)13-6-3-10-15-11(12)17-16-10/h2,5,7,9,13H,3-4,6,8H2,1H3,(H3,12,15,16,17)/t9-/m1/s1
InChIKeyZWGIUYPRVGSVTA-SECBINFHSA-N
XLogP0.19
TPSA97.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[2-[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]ethyl]-1H-1,2,4-triazol-3-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 53618551
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 71894757
1-butyl-3-methyl-5-[3-(1H-pyrazol-1-yl)propyl]-1H-1,2,4-triazole
CID 72841091
N-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-3-(1H-pyrazol-1-yl)propan-1-amine
CID 77080424
N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine
CID 86801158
N-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-2-(1H-pyrazol-1-yl)butanamide
CID 91838409
5-cyclopropyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1H-1,2,4-triazole
CID 95124171
(2S)-N-[(1-butyltetrazol-5-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95156801
(2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95279080
N-[(5-ethyl-1H-1,2,4-triazol-3-yl)methyl]-N-methyl-3-(1H-pyrazol-1-yl)propan-1-amine
CID 129620647
1-[3-(1H-pyrazol-1-yl)propyl]-4-(4H-1,2,4-triazol-3-yl)piperidine
CID 129623656
N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-4-pyrazol-1-ylbutanamide
CID 164638495

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]ethyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[2-[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]ethyl]-1H-1,2,4-triazol-3-amine (CID 125437408) is 5-[2-[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]ethyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[2-[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]ethyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[2-[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]ethyl]-1H-1,2,4-triazol-3-amine is C[C@H](CCn1cccn1)NCCc1nc(N)n[nH]1.
What is the InChIKey of 5-[2-[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]ethyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is ZWGIUYPRVGSVTA-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N7/c1-9(4-8-18-7-2-5-14-18)13-6-3-10-15-11(12)17-16-10/h2,5,7,9,13H,3-4,6,8H2,1H3,(H3,12,15,16,17)/t9-/m1/s1.
What are the key properties of 5-[2-[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]ethyl]-1H-1,2,4-triazol-3-amine?
5-[2-[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]ethyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 249.32 g/mol, XLogP of 0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]ethyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 125437408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).