3-[amino(prop-2-enyl)amino]-1H-1,2,4-triazol-5-amine

C5H10N6 — CID 123531217

IUPAC3-[amino(prop-2-enyl)amino]-1H-1,2,4-triazol-5-amine
SMILESC=CCN(N)c1n[nH]c(N)n1
InChIInChI=1S/C5H10N6/c1-2-3-11(7)5-8-4(6)9-10-5/h2H,1,3,7H2,(H3,6,8,9,10)
InChIKeyUVZIXBMMLNIIJA-UHFFFAOYSA-N
MW154.18 g/mol
LogP-0.75
Rot. Bonds3

About 3-[amino(prop-2-enyl)amino]-1H-1,2,4-triazol-5-amine

3-[amino(prop-2-enyl)amino]-1H-1,2,4-triazol-5-amine (PubChem CID 123531217) has the molecular formula C5H10N6 and a molecular weight of 154.18 g/mol. Its IUPAC name is 3-[amino(prop-2-enyl)amino]-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-[amino(prop-2-enyl)amino]-1H-1,2,4-triazol-5-amine
PubChem CID123531217
Molecular FormulaC5H10N6
Molecular Weight154.18 g/mol
Exact Mass154.10
IUPAC Name3-[amino(prop-2-enyl)amino]-1H-1,2,4-triazol-5-amine
SMILESC=CCN(N)c1n[nH]c(N)n1
InChIInChI=1S/C5H10N6/c1-2-3-11(7)5-8-4(6)9-10-5/h2H,1,3,7H2,(H3,6,8,9,10)
InChIKeyUVZIXBMMLNIIJA-UHFFFAOYSA-N
XLogP-0.75
TPSA96.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-(Prop-2-en-1-yl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 13267634
N-prop-2-enyl-1H-1,2,4-triazol-5-amine
CID 55287493
3-[amino(propyl)amino]-1H-1,2,4-triazol-5-amine
CID 90063606
3-[amino(ethyl)amino]-1H-1,2,4-triazol-5-amine
CID 90063907
N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-5-amine
CID 130455127
3-N,3-N-bis(prop-2-enyl)-1H-1,2,4-triazole-3,5-diamine
CID 10397373
3-N-prop-2-enyl-1H-1,2,4-triazole-3,5-diamine
CID 21792829
1-(Prop-2-en-1-yl)-1H-1,2,4-triazole-3,5-diamine
CID 71389708
1-Allyl-3-bromo-5-hydrazinyl-1H-1,2,4-triazole
CID 97178987
3-N-(3-methylbut-2-enyl)-1H-1,2,4-triazole-3,5-diamine
CID 106198150
3-N-(2-methylprop-2-enyl)-1H-1,2,4-triazole-3,5-diamine
CID 114619395
3-N-(2-chloroprop-2-enyl)-1H-1,2,4-triazole-3,5-diamine
CID 116028105

Frequently Asked Questions

What is the IUPAC name of 3-[amino(prop-2-enyl)amino]-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-[amino(prop-2-enyl)amino]-1H-1,2,4-triazol-5-amine (CID 123531217) is 3-[amino(prop-2-enyl)amino]-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-[amino(prop-2-enyl)amino]-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-[amino(prop-2-enyl)amino]-1H-1,2,4-triazol-5-amine is C=CCN(N)c1n[nH]c(N)n1.
What is the InChIKey of 3-[amino(prop-2-enyl)amino]-1H-1,2,4-triazol-5-amine?
The InChIKey is UVZIXBMMLNIIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6/c1-2-3-11(7)5-8-4(6)9-10-5/h2H,1,3,7H2,(H3,6,8,9,10).
What are the key properties of 3-[amino(prop-2-enyl)amino]-1H-1,2,4-triazol-5-amine?
3-[amino(prop-2-enyl)amino]-1H-1,2,4-triazol-5-amine has a molecular weight of 154.18 g/mol, XLogP of -0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(prop-2-enyl)amino]-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 123531217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).