(3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclopentan-1-amine

C8H13N5 — CID 107058886

IUPAC(3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclopentan-1-amine
SMILESCn1nnc(/C=C2/CCC(N)C2)n1
InChIInChI=1S/C8H13N5/c1-13-11-8(10-12-13)5-6-2-3-7(9)4-6/h5,7H,2-4,9H2,1H3/b6-5-
InChIKeyDIXKAJJEPGZGBQ-WAYWQWQTSA-N
MW179.23 g/mol
LogP0.10
Rot. Bonds1

About (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclopentan-1-amine

(3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclopentan-1-amine (PubChem CID 107058886) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclopentan-1-amine.

Molecular Properties

Compound Name(3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclopentan-1-amine
PubChem CID107058886
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name(3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclopentan-1-amine
SMILESCn1nnc(/C=C2/CCC(N)C2)n1
InChIInChI=1S/C8H13N5/c1-13-11-8(10-12-13)5-6-2-3-7(9)4-6/h5,7H,2-4,9H2,1H3/b6-5-
InChIKeyDIXKAJJEPGZGBQ-WAYWQWQTSA-N
XLogP0.10
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclopentan-1-amine?
The IUPAC name of (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclopentan-1-amine (CID 107058886) is (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclopentan-1-amine.
What is the SMILES notation for (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclopentan-1-amine?
The canonical SMILES for (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclopentan-1-amine is Cn1nnc(/C=C2/CCC(N)C2)n1.
What is the InChIKey of (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclopentan-1-amine?
The InChIKey is DIXKAJJEPGZGBQ-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H13N5/c1-13-11-8(10-12-13)5-6-2-3-7(9)4-6/h5,7H,2-4,9H2,1H3/b6-5-.
What are the key properties of (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclopentan-1-amine?
(3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclopentan-1-amine has a molecular weight of 179.23 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclopentan-1-amine is sourced from PubChem (CID 107058886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).