N-(3-methylcyclohexyl)-2H-tetrazol-5-amine

C8H15N5 — CID 164660640

IUPACN-(3-methylcyclohexyl)-2H-tetrazol-5-amine
SMILESCC1CCCC(Nc2nn[nH]n2)C1
InChIInChI=1S/C8H15N5/c1-6-3-2-4-7(5-6)9-8-10-12-13-11-8/h6-7H,2-5H2,1H3,(H2,9,10,11,12,13)
InChIKeyDTJZJUVHODEAQK-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.19
Rot. Bonds2

About N-(3-methylcyclohexyl)-2H-tetrazol-5-amine

N-(3-methylcyclohexyl)-2H-tetrazol-5-amine (PubChem CID 164660640) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-2H-tetrazol-5-amine
PubChem CID164660640
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC NameN-(3-methylcyclohexyl)-2H-tetrazol-5-amine
SMILESCC1CCCC(Nc2nn[nH]n2)C1
InChIInChI=1S/C8H15N5/c1-6-3-2-4-7(5-6)9-8-10-12-13-11-8/h6-7H,2-5H2,1H3,(H2,9,10,11,12,13)
InChIKeyDTJZJUVHODEAQK-UHFFFAOYSA-N
XLogP1.19
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-2H-tetrazol-5-amine?
The IUPAC name of N-(3-methylcyclohexyl)-2H-tetrazol-5-amine (CID 164660640) is N-(3-methylcyclohexyl)-2H-tetrazol-5-amine.
What is the SMILES notation for N-(3-methylcyclohexyl)-2H-tetrazol-5-amine?
The canonical SMILES for N-(3-methylcyclohexyl)-2H-tetrazol-5-amine is CC1CCCC(Nc2nn[nH]n2)C1.
What is the InChIKey of N-(3-methylcyclohexyl)-2H-tetrazol-5-amine?
The InChIKey is DTJZJUVHODEAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-6-3-2-4-7(5-6)9-8-10-12-13-11-8/h6-7H,2-5H2,1H3,(H2,9,10,11,12,13).
What are the key properties of N-(3-methylcyclohexyl)-2H-tetrazol-5-amine?
N-(3-methylcyclohexyl)-2H-tetrazol-5-amine has a molecular weight of 181.24 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-2H-tetrazol-5-amine is sourced from PubChem (CID 164660640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).