3-[(2-methyltetrazol-5-yl)methyl]cyclopent-2-en-1-amine

C8H13N5 — CID 107054969

IUPAC3-[(2-methyltetrazol-5-yl)methyl]cyclopent-2-en-1-amine
SMILESCn1nnc(CC2=CC(N)CC2)n1
InChIInChI=1S/C8H13N5/c1-13-11-8(10-12-13)5-6-2-3-7(9)4-6/h4,7H,2-3,5,9H2,1H3
InChIKeyWDEDXKXTNRBJBB-UHFFFAOYSA-N
MW179.23 g/mol
LogP-0.20
Rot. Bonds2

About 3-[(2-methyltetrazol-5-yl)methyl]cyclopent-2-en-1-amine

3-[(2-methyltetrazol-5-yl)methyl]cyclopent-2-en-1-amine (PubChem CID 107054969) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 3-[(2-methyltetrazol-5-yl)methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name3-[(2-methyltetrazol-5-yl)methyl]cyclopent-2-en-1-amine
PubChem CID107054969
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name3-[(2-methyltetrazol-5-yl)methyl]cyclopent-2-en-1-amine
SMILESCn1nnc(CC2=CC(N)CC2)n1
InChIInChI=1S/C8H13N5/c1-13-11-8(10-12-13)5-6-2-3-7(9)4-6/h4,7H,2-3,5,9H2,1H3
InChIKeyWDEDXKXTNRBJBB-UHFFFAOYSA-N
XLogP-0.20
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Methyltetrazol-5-yl)pent-1-en-3-amine
CID 69423298
1-(Cyclohexen-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107050930
1-(cyclohexen-1-yl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107050933
1-(cyclohexen-1-yl)-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine
CID 107050934
3-[(2-Methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine
CID 107054965
5,5-Dimethyl-3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine
CID 107054967
4-Methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
CID 107058704
4-[(2-Methyltetrazol-5-yl)methylidene]cyclohexan-1-amine
CID 107058875
(3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclopentan-1-amine
CID 107058886
(3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclohexan-1-amine
CID 107058892
3-[(2-Methyltetrazol-5-yl)methylidene]cyclobutan-1-amine
CID 107058913
[1-(Cyclohexen-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-yl]hydrazine
CID 107066404

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]cyclopent-2-en-1-amine?
The IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]cyclopent-2-en-1-amine (CID 107054969) is 3-[(2-methyltetrazol-5-yl)methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 3-[(2-methyltetrazol-5-yl)methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 3-[(2-methyltetrazol-5-yl)methyl]cyclopent-2-en-1-amine is Cn1nnc(CC2=CC(N)CC2)n1.
What is the InChIKey of 3-[(2-methyltetrazol-5-yl)methyl]cyclopent-2-en-1-amine?
The InChIKey is WDEDXKXTNRBJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-13-11-8(10-12-13)5-6-2-3-7(9)4-6/h4,7H,2-3,5,9H2,1H3.
What are the key properties of 3-[(2-methyltetrazol-5-yl)methyl]cyclopent-2-en-1-amine?
3-[(2-methyltetrazol-5-yl)methyl]cyclopent-2-en-1-amine has a molecular weight of 179.23 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyltetrazol-5-yl)methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 107054969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).