5-(1-amino-3-methylpent-4-enyl)-1H-1,2,4-triazol-3-amine

C8H15N5 — CID 123972560

IUPAC5-(1-amino-3-methylpent-4-enyl)-1H-1,2,4-triazol-3-amine
SMILESC=CC(C)CC(N)c1nc(N)n[nH]1
InChIInChI=1S/C8H15N5/c1-3-5(2)4-6(9)7-11-8(10)13-12-7/h3,5-6H,1,4,9H2,2H3,(H3,10,11,12,13)
InChIKeyMAMAOEPAYJZLPV-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.60
Rot. Bonds4

About 5-(1-amino-3-methylpent-4-enyl)-1H-1,2,4-triazol-3-amine

5-(1-amino-3-methylpent-4-enyl)-1H-1,2,4-triazol-3-amine (PubChem CID 123972560) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(1-amino-3-methylpent-4-enyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(1-amino-3-methylpent-4-enyl)-1H-1,2,4-triazol-3-amine
PubChem CID123972560
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name5-(1-amino-3-methylpent-4-enyl)-1H-1,2,4-triazol-3-amine
SMILESC=CC(C)CC(N)c1nc(N)n[nH]1
InChIInChI=1S/C8H15N5/c1-3-5(2)4-6(9)7-11-8(10)13-12-7/h3,5-6H,1,4,9H2,2H3,(H3,10,11,12,13)
InChIKeyMAMAOEPAYJZLPV-UHFFFAOYSA-N
XLogP0.60
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pent-4-en-1-amine
CID 123505695
3-hex-5-en-2-yl-5-methyl-1H-1,2,4-triazole
CID 88985313
(Z)-4-(5-methyl-1H-1,2,4-triazol-3-yl)dec-7-en-1-amine
CID 163878218
3-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)butan-1-amine
CID 61276905
1-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
CID 61277333
5-(1-amino-2-methylbutyl)-1H-1,2,4-triazol-3-amine
CID 61319778
5-(1-amino-3-methylbutyl)-1H-1,2,4-triazol-3-amine
CID 61320161
3-methyl-1-(5-propyl-1H-1,2,4-triazol-3-yl)butan-1-amine
CID 61336386
3-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine
CID 61336967
1-[5-(3-methylbutyl)-1H-1,2,4-triazol-3-yl]ethanamine
CID 62951880
N-methyl-1-(1H-1,2,4-triazol-5-yl)pent-4-en-1-amine
CID 65360075
N-methyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine
CID 65360391

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-3-methylpent-4-enyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(1-amino-3-methylpent-4-enyl)-1H-1,2,4-triazol-3-amine (CID 123972560) is 5-(1-amino-3-methylpent-4-enyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(1-amino-3-methylpent-4-enyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(1-amino-3-methylpent-4-enyl)-1H-1,2,4-triazol-3-amine is C=CC(C)CC(N)c1nc(N)n[nH]1.
What is the InChIKey of 5-(1-amino-3-methylpent-4-enyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is MAMAOEPAYJZLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-3-5(2)4-6(9)7-11-8(10)13-12-7/h3,5-6H,1,4,9H2,2H3,(H3,10,11,12,13).
What are the key properties of 5-(1-amino-3-methylpent-4-enyl)-1H-1,2,4-triazol-3-amine?
5-(1-amino-3-methylpent-4-enyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 181.24 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-3-methylpent-4-enyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 123972560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).