N,N-dimethyl-5-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1H-1,2,4-triazol-3-amine

C10H15N5 — CID 123330850

IUPACN,N-dimethyl-5-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1H-1,2,4-triazol-3-amine
SMILESC=C/C=C(\C=N\C)c1nc(N(C)C)n[nH]1
InChIInChI=1S/C10H15N5/c1-5-6-8(7-11-2)9-12-10(14-13-9)15(3)4/h5-7H,1H2,2-4H3,(H,12,13,14)/b8-6+,11-7+
InChIKeyBTABCMQXQOPYBQ-JMFBPXTISA-N
MW205.26 g/mol
LogP1.14
Rot. Bonds4

About N,N-dimethyl-5-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1H-1,2,4-triazol-3-amine

N,N-dimethyl-5-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1H-1,2,4-triazol-3-amine (PubChem CID 123330850) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is N,N-dimethyl-5-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1H-1,2,4-triazol-3-amine
PubChem CID123330850
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC NameN,N-dimethyl-5-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1H-1,2,4-triazol-3-amine
SMILESC=C/C=C(\C=N\C)c1nc(N(C)C)n[nH]1
InChIInChI=1S/C10H15N5/c1-5-6-8(7-11-2)9-12-10(14-13-9)15(3)4/h5-7H,1H2,2-4H3,(H,12,13,14)/b8-6+,11-7+
InChIKeyBTABCMQXQOPYBQ-JMFBPXTISA-N
XLogP1.14
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4E)-N-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hexa-2,4-dien-1-imine
CID 137213262
3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2H-azepine
CID 146184172
(2Z,4E)-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hexa-2,4-dien-1-imine
CID 156683306
N-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1H-1,2,4-triazol-3-amine
CID 123450996
5-but-2-en-2-yl-1H-1,2,4-triazol-3-amine
CID 123608994
5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1H-1,2,4-triazole
CID 129196346
N-[(1Z,3E)-3-(5-methyl-1H-1,2,4-triazol-3-yl)penta-1,3-dienyl]methanimine
CID 132126166
2-(3-buta-1,3-dien-2-yl-1H-1,2,4-triazol-5-yl)-N,N-dimethylethanamine
CID 139453871
1-methyl-4-(1H-1,2,4-triazol-5-yl)-2H-pyridine
CID 141395353
1-methyl-3-(1H-1,2,4-triazol-5-yl)-2H-pyridine
CID 141395357
1-ethyl-4-(1H-1,2,4-triazol-5-yl)-2H-pyridine
CID 141395362
(2E)-N-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)penta-2,4-dien-1-imine
CID 143913725

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of N,N-dimethyl-5-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1H-1,2,4-triazol-3-amine (CID 123330850) is N,N-dimethyl-5-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1H-1,2,4-triazol-3-amine is C=C/C=C(\C=N\C)c1nc(N(C)C)n[nH]1.
What is the InChIKey of N,N-dimethyl-5-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1H-1,2,4-triazol-3-amine?
The InChIKey is BTABCMQXQOPYBQ-JMFBPXTISA-N. The full InChI is InChI=1S/C10H15N5/c1-5-6-8(7-11-2)9-12-10(14-13-9)15(3)4/h5-7H,1H2,2-4H3,(H,12,13,14)/b8-6+,11-7+.
What are the key properties of N,N-dimethyl-5-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1H-1,2,4-triazol-3-amine?
N,N-dimethyl-5-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1H-1,2,4-triazol-3-amine has a molecular weight of 205.26 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 123330850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).