(3Z,5Z)-N-methyl-1-(1-methyltetrazol-5-yl)hepta-3,5-dien-2-imine

C10H15N5 — CID 90196575

IUPAC(3Z,5Z)-N-methyl-1-(1-methyltetrazol-5-yl)hepta-3,5-dien-2-imine
SMILESC/C=C\C=C/C(Cc1nnnn1C)=N\C
InChIInChI=1S/C10H15N5/c1-4-5-6-7-9(11-2)8-10-12-13-14-15(10)3/h4-7H,8H2,1-3H3/b5-4-,7-6-,11-9+
InChIKeyUUQSMSNJSFQTGK-ZHQLODKRSA-N
MW205.26 g/mol
LogP0.96
Rot. Bonds4

About (3Z,5Z)-N-methyl-1-(1-methyltetrazol-5-yl)hepta-3,5-dien-2-imine

(3Z,5Z)-N-methyl-1-(1-methyltetrazol-5-yl)hepta-3,5-dien-2-imine (PubChem CID 90196575) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is (3Z,5Z)-N-methyl-1-(1-methyltetrazol-5-yl)hepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z,5Z)-N-methyl-1-(1-methyltetrazol-5-yl)hepta-3,5-dien-2-imine
PubChem CID90196575
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name(3Z,5Z)-N-methyl-1-(1-methyltetrazol-5-yl)hepta-3,5-dien-2-imine
SMILESC/C=C\C=C/C(Cc1nnnn1C)=N\C
InChIInChI=1S/C10H15N5/c1-4-5-6-7-9(11-2)8-10-12-13-14-15(10)3/h4-7H,8H2,1-3H3/b5-4-,7-6-,11-9+
InChIKeyUUQSMSNJSFQTGK-ZHQLODKRSA-N
XLogP0.96
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-methyl-1-(1-methyltetrazol-5-yl)hepta-3,5-dien-2-imine?
The IUPAC name of (3Z,5Z)-N-methyl-1-(1-methyltetrazol-5-yl)hepta-3,5-dien-2-imine (CID 90196575) is (3Z,5Z)-N-methyl-1-(1-methyltetrazol-5-yl)hepta-3,5-dien-2-imine.
What is the SMILES notation for (3Z,5Z)-N-methyl-1-(1-methyltetrazol-5-yl)hepta-3,5-dien-2-imine?
The canonical SMILES for (3Z,5Z)-N-methyl-1-(1-methyltetrazol-5-yl)hepta-3,5-dien-2-imine is C/C=C\C=C/C(Cc1nnnn1C)=N\C.
What is the InChIKey of (3Z,5Z)-N-methyl-1-(1-methyltetrazol-5-yl)hepta-3,5-dien-2-imine?
The InChIKey is UUQSMSNJSFQTGK-ZHQLODKRSA-N. The full InChI is InChI=1S/C10H15N5/c1-4-5-6-7-9(11-2)8-10-12-13-14-15(10)3/h4-7H,8H2,1-3H3/b5-4-,7-6-,11-9+.
What are the key properties of (3Z,5Z)-N-methyl-1-(1-methyltetrazol-5-yl)hepta-3,5-dien-2-imine?
(3Z,5Z)-N-methyl-1-(1-methyltetrazol-5-yl)hepta-3,5-dien-2-imine has a molecular weight of 205.26 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-methyl-1-(1-methyltetrazol-5-yl)hepta-3,5-dien-2-imine is sourced from PubChem (CID 90196575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).