1-[(1Z)-3-aminobuta-1,3-dienyl]-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine

C10H17N5 — CID 148687835

IUPAC1-[(1Z)-3-aminobuta-1,3-dienyl]-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine
SMILESC=C(N)/C=C\n1nc(N(C)C)nc1CC
InChIInChI=1S/C10H17N5/c1-5-9-12-10(14(3)4)13-15(9)7-6-8(2)11/h6-7H,2,5,11H2,1,3-4H3/b7-6-
InChIKeyNSWAEVILFGAPAR-SREVYHEPSA-N
MW207.28 g/mol
LogP0.85
Rot. Bonds4

About 1-[(1Z)-3-aminobuta-1,3-dienyl]-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine

1-[(1Z)-3-aminobuta-1,3-dienyl]-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine (PubChem CID 148687835) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[(1Z)-3-aminobuta-1,3-dienyl]-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-[(1Z)-3-aminobuta-1,3-dienyl]-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine
PubChem CID148687835
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name1-[(1Z)-3-aminobuta-1,3-dienyl]-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine
SMILESC=C(N)/C=C\n1nc(N(C)C)nc1CC
InChIInChI=1S/C10H17N5/c1-5-9-12-10(14(3)4)13-15(9)7-6-8(2)11/h6-7H,2,5,11H2,1,3-4H3/b7-6-
InChIKeyNSWAEVILFGAPAR-SREVYHEPSA-N
XLogP0.85
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(1Z)-3-aminobuta-1,3-dienyl]-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine with MolForge

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Related Compounds

5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
CID 90299134
N,N,5-trimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
CID 130248507
2-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,4-triazol-3-amine
CID 134578471
N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine
CID 137413514
1,5-Bis(ethenyl)-1,2,4-triazol-3-amine;ethane
CID 143819261
(1E)-1-(2,5-dimethyl-1,2,4-triazol-3-yl)buta-1,3-dien-2-amine;ethane
CID 144691487
2-[(Z)-but-1-enyl]-5-methyl-1,2,4-triazol-3-amine;methane
CID 145001387
ethane;5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
CID 145001555
1-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-1,2,4-triazole;ethane
CID 145334586
4-(3,5-Dimethyl-1,2,4-triazol-1-yl)-6-ethenyl-2-methyl-1,4-dihydropyrimidine
CID 145558948
5-[(E)-2-aminoprop-1-enyl]-N-cyclopropyl-N,1-dimethyl-1,2,4-triazol-3-amine
CID 164063828
ethane;(Z)-N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]ethanimine
CID 165134075

Frequently Asked Questions

What is the IUPAC name of 1-[(1Z)-3-aminobuta-1,3-dienyl]-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 1-[(1Z)-3-aminobuta-1,3-dienyl]-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine (CID 148687835) is 1-[(1Z)-3-aminobuta-1,3-dienyl]-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-[(1Z)-3-aminobuta-1,3-dienyl]-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 1-[(1Z)-3-aminobuta-1,3-dienyl]-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine is C=C(N)/C=C\n1nc(N(C)C)nc1CC.
What is the InChIKey of 1-[(1Z)-3-aminobuta-1,3-dienyl]-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is NSWAEVILFGAPAR-SREVYHEPSA-N. The full InChI is InChI=1S/C10H17N5/c1-5-9-12-10(14(3)4)13-15(9)7-6-8(2)11/h6-7H,2,5,11H2,1,3-4H3/b7-6-.
What are the key properties of 1-[(1Z)-3-aminobuta-1,3-dienyl]-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine?
1-[(1Z)-3-aminobuta-1,3-dienyl]-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 207.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z)-3-aminobuta-1,3-dienyl]-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 148687835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).