(1-aminocyclopentyl)-(2-methyltetrazol-5-yl)methanone

C8H13N5O — CID 127004717

IUPAC(1-aminocyclopentyl)-(2-methyltetrazol-5-yl)methanone
SMILESCn1nnc(C(=O)C2(N)CCCC2)n1
InChIInChI=1S/C8H13N5O/c1-13-11-7(10-12-13)6(14)8(9)4-2-3-5-8/h2-5,9H2,1H3
InChIKeyKTTUCHWTAPQGQX-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.34
Rot. Bonds2

About (1-aminocyclopentyl)-(2-methyltetrazol-5-yl)methanone

(1-aminocyclopentyl)-(2-methyltetrazol-5-yl)methanone (PubChem CID 127004717) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is (1-aminocyclopentyl)-(2-methyltetrazol-5-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclopentyl)-(2-methyltetrazol-5-yl)methanone
PubChem CID127004717
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name(1-aminocyclopentyl)-(2-methyltetrazol-5-yl)methanone
SMILESCn1nnc(C(=O)C2(N)CCCC2)n1
InChIInChI=1S/C8H13N5O/c1-13-11-7(10-12-13)6(14)8(9)4-2-3-5-8/h2-5,9H2,1H3
InChIKeyKTTUCHWTAPQGQX-UHFFFAOYSA-N
XLogP-0.34
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-(2-methyltetrazol-5-yl)methanone?
The IUPAC name of (1-aminocyclopentyl)-(2-methyltetrazol-5-yl)methanone (CID 127004717) is (1-aminocyclopentyl)-(2-methyltetrazol-5-yl)methanone.
What is the SMILES notation for (1-aminocyclopentyl)-(2-methyltetrazol-5-yl)methanone?
The canonical SMILES for (1-aminocyclopentyl)-(2-methyltetrazol-5-yl)methanone is Cn1nnc(C(=O)C2(N)CCCC2)n1.
What is the InChIKey of (1-aminocyclopentyl)-(2-methyltetrazol-5-yl)methanone?
The InChIKey is KTTUCHWTAPQGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-13-11-7(10-12-13)6(14)8(9)4-2-3-5-8/h2-5,9H2,1H3.
What are the key properties of (1-aminocyclopentyl)-(2-methyltetrazol-5-yl)methanone?
(1-aminocyclopentyl)-(2-methyltetrazol-5-yl)methanone has a molecular weight of 195.23 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-(2-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 127004717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).