[4-(1-methyltetrazol-5-yl)cyclohexyl]carbamic acid

C9H15N5O2 — CID 146423260

IUPAC[4-(1-methyltetrazol-5-yl)cyclohexyl]carbamic acid
SMILESCn1nnnc1C1CCC(NC(=O)O)CC1
InChIInChI=1S/C9H15N5O2/c1-14-8(11-12-13-14)6-2-4-7(5-3-6)10-9(15)16/h6-7,10H,2-5H2,1H3,(H,15,16)
InChIKeyAIAGCMZRDTZNJW-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.50
Rot. Bonds2

About [4-(1-methyltetrazol-5-yl)cyclohexyl]carbamic acid

[4-(1-methyltetrazol-5-yl)cyclohexyl]carbamic acid (PubChem CID 146423260) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is [4-(1-methyltetrazol-5-yl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-(1-methyltetrazol-5-yl)cyclohexyl]carbamic acid
PubChem CID146423260
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name[4-(1-methyltetrazol-5-yl)cyclohexyl]carbamic acid
SMILESCn1nnnc1C1CCC(NC(=O)O)CC1
InChIInChI=1S/C9H15N5O2/c1-14-8(11-12-13-14)6-2-4-7(5-3-6)10-9(15)16/h6-7,10H,2-5H2,1H3,(H,15,16)
InChIKeyAIAGCMZRDTZNJW-UHFFFAOYSA-N
XLogP0.50
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1-methyltetrazol-5-yl)cyclohexyl]carbamic acid?
The IUPAC name of [4-(1-methyltetrazol-5-yl)cyclohexyl]carbamic acid (CID 146423260) is [4-(1-methyltetrazol-5-yl)cyclohexyl]carbamic acid.
What is the SMILES notation for [4-(1-methyltetrazol-5-yl)cyclohexyl]carbamic acid?
The canonical SMILES for [4-(1-methyltetrazol-5-yl)cyclohexyl]carbamic acid is Cn1nnnc1C1CCC(NC(=O)O)CC1.
What is the InChIKey of [4-(1-methyltetrazol-5-yl)cyclohexyl]carbamic acid?
The InChIKey is AIAGCMZRDTZNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-14-8(11-12-13-14)6-2-4-7(5-3-6)10-9(15)16/h6-7,10H,2-5H2,1H3,(H,15,16).
What are the key properties of [4-(1-methyltetrazol-5-yl)cyclohexyl]carbamic acid?
[4-(1-methyltetrazol-5-yl)cyclohexyl]carbamic acid has a molecular weight of 225.25 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methyltetrazol-5-yl)cyclohexyl]carbamic acid is sourced from PubChem (CID 146423260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).