(E)-3-amino-2-(2H-tetrazol-5-yl)but-2-enenitrile

C5H6N6 — CID 14063065

IUPAC(E)-3-amino-2-(2H-tetrazol-5-yl)but-2-enenitrile
SMILESC/C(N)=C(/C#N)c1nn[nH]n1
InChIInChI=1S/C5H6N6/c1-3(7)4(2-6)5-8-10-11-9-5/h7H2,1H3,(H,8,9,10,11)/b4-3+
InChIKeyVRNSMPFGINCBOV-ONEGZZNKSA-N
MW150.14 g/mol
LogP-0.59
Rot. Bonds1

About (E)-3-amino-2-(2H-tetrazol-5-yl)but-2-enenitrile

(E)-3-amino-2-(2H-tetrazol-5-yl)but-2-enenitrile (PubChem CID 14063065) has the molecular formula C5H6N6 and a molecular weight of 150.14 g/mol. Its IUPAC name is (E)-3-amino-2-(2H-tetrazol-5-yl)but-2-enenitrile.

Molecular Properties

Compound Name(E)-3-amino-2-(2H-tetrazol-5-yl)but-2-enenitrile
PubChem CID14063065
Molecular FormulaC5H6N6
Molecular Weight150.14 g/mol
Exact Mass150.07
IUPAC Name(E)-3-amino-2-(2H-tetrazol-5-yl)but-2-enenitrile
SMILESC/C(N)=C(/C#N)c1nn[nH]n1
InChIInChI=1S/C5H6N6/c1-3(7)4(2-6)5-8-10-11-9-5/h7H2,1H3,(H,8,9,10,11)/b4-3+
InChIKeyVRNSMPFGINCBOV-ONEGZZNKSA-N
XLogP-0.59
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dimethylanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 169342304
5-(1-diazoethyl)-2H-tetrazole
CID 11116050
2-(2H-tetrazol-5-yl)prop-2-enamide
CID 154333734
(E)-3-[(3-methyl-2-pyridinyl)amino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 10059622
N-[2-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]acetamide
CID 169342393
3-(4-tert-butylanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 169342138
sodium [(E)-1-(2H-tetrazol-5-yl)ethylideneamino]azanide
CID 135437274
5-methyl-2H-tetrazole;prop-1-en-2-amine
CID 158635982
(Z)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 51539224
3-(3,4-dimethoxyanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 169342114
3-amino-2-[2-(cyanomethyl)-1,3-thiazol-4-yl]but-2-enenitrile
CID 23734731
methyl N-[4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]carbamate
CID 169346343

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-2-(2H-tetrazol-5-yl)but-2-enenitrile?
The IUPAC name of (E)-3-amino-2-(2H-tetrazol-5-yl)but-2-enenitrile (CID 14063065) is (E)-3-amino-2-(2H-tetrazol-5-yl)but-2-enenitrile.
What is the SMILES notation for (E)-3-amino-2-(2H-tetrazol-5-yl)but-2-enenitrile?
The canonical SMILES for (E)-3-amino-2-(2H-tetrazol-5-yl)but-2-enenitrile is C/C(N)=C(/C#N)c1nn[nH]n1.
What is the InChIKey of (E)-3-amino-2-(2H-tetrazol-5-yl)but-2-enenitrile?
The InChIKey is VRNSMPFGINCBOV-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H6N6/c1-3(7)4(2-6)5-8-10-11-9-5/h7H2,1H3,(H,8,9,10,11)/b4-3+.
What are the key properties of (E)-3-amino-2-(2H-tetrazol-5-yl)but-2-enenitrile?
(E)-3-amino-2-(2H-tetrazol-5-yl)but-2-enenitrile has a molecular weight of 150.14 g/mol, XLogP of -0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-2-(2H-tetrazol-5-yl)but-2-enenitrile is sourced from PubChem (CID 14063065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).