2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine

C11H17N5 — CID 143503835

IUPAC2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESC=C/C=C(\C=C/C)C1N=C(N)N/C(=N\C)N1
InChIInChI=1S/C11H17N5/c1-4-6-8(7-5-2)9-14-10(12)16-11(13-3)15-9/h4-7,9H,1H2,2-3H3,(H4,12,13,14,15,16)/b7-5-,8-6+
InChIKeyISCALZQLUYETPC-CGXWXWIYSA-N
MW219.29 g/mol
LogP0.49
Rot. Bonds3

About 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine

2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 143503835) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID143503835
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESC=C/C=C(\C=C/C)C1N=C(N)N/C(=N\C)N1
InChIInChI=1S/C11H17N5/c1-4-6-8(7-5-2)9-14-10(12)16-11(13-3)15-9/h4-7,9H,1H2,2-3H3,(H4,12,13,14,15,16)/b7-5-,8-6+
InChIKeyISCALZQLUYETPC-CGXWXWIYSA-N
XLogP0.49
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-cyano-N'-(1,1,5-trimethyl-2H-pyridin-1-ium-6-yl)methanimidamide
CID 91608428
6-N-(2-ethylpenta-2,4-dienyl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 123354238
N'-[(E)-1-[[(2E)-2,4-dimethylpenta-2,4-dienyl]amino]-2-methylbut-2-enyl]methanimidamide
CID 145011924
N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 146653890
4-Cyclohexa-1,5-dien-1-yl-1,3-dimethyl-2,4-dihydro-1,3,5-triazine-2,6-diamine
CID 149005303
4-[[(2E,3Z)-2-ethylidene-5-methylidenehepta-3,6-dienyl]-propylamino]-2,5-dihydro-1H-1,3,5-triazine-6-thione
CID 156479765
2-[Amino-[(3-iodocyclohexa-1,5-dien-1-yl)methylamino]methyl]guanidine
CID 163619572
1-[(Z,2E)-2-ethylidenepent-3-enyl]-2-methyl-3-propylideneguanidine
CID 173871389
N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 176522969
N-[N'-[(Z)-hex-3-enyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 176535305
1-(cyclohexa-1,5-dien-1-ylmethyl)-3-(N,N-dimethylcarbamimidoyl)-2-methylguanidine
CID 176543827
1-ethyl-2-(2-methylpropyl)-3-[(E)-pent-3-enyl]guanidine
CID 111587733

Frequently Asked Questions

What is the IUPAC name of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 143503835) is 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine is C=C/C=C(\C=C/C)C1N=C(N)N/C(=N\C)N1.
What is the InChIKey of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is ISCALZQLUYETPC-CGXWXWIYSA-N. The full InChI is InChI=1S/C11H17N5/c1-4-6-8(7-5-2)9-14-10(12)16-11(13-3)15-9/h4-7,9H,1H2,2-3H3,(H4,12,13,14,15,16)/b7-5-,8-6+.
What are the key properties of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 219.29 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 143503835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).