N-(1-methyltetrazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-amine

C7H12N6 — CID 63149798

IUPACN-(1-methyltetrazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCn1nnnc1NC1C2CNCC21
InChIInChI=1S/C7H12N6/c1-13-7(10-11-12-13)9-6-4-2-8-3-5(4)6/h4-6,8H,2-3H2,1H3,(H,9,10,12)
InChIKeyURRHWUBDHDMZAR-UHFFFAOYSA-N
MW180.21 g/mol
LogP-1.16
Rot. Bonds2

About N-(1-methyltetrazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-amine

N-(1-methyltetrazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 63149798) has the molecular formula C7H12N6 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(1-methyltetrazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound NameN-(1-methyltetrazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID63149798
Molecular FormulaC7H12N6
Molecular Weight180.21 g/mol
Exact Mass180.11
IUPAC NameN-(1-methyltetrazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCn1nnnc1NC1C2CNCC21
InChIInChI=1S/C7H12N6/c1-13-7(10-11-12-13)9-6-4-2-8-3-5(4)6/h4-6,8H,2-3H2,1H3,(H,9,10,12)
InChIKeyURRHWUBDHDMZAR-UHFFFAOYSA-N
XLogP-1.16
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyltetrazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of N-(1-methyltetrazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-amine (CID 63149798) is N-(1-methyltetrazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for N-(1-methyltetrazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for N-(1-methyltetrazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-amine is Cn1nnnc1NC1C2CNCC21.
What is the InChIKey of N-(1-methyltetrazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is URRHWUBDHDMZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6/c1-13-7(10-11-12-13)9-6-4-2-8-3-5(4)6/h4-6,8H,2-3H2,1H3,(H,9,10,12).
What are the key properties of N-(1-methyltetrazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
N-(1-methyltetrazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 180.21 g/mol, XLogP of -1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyltetrazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 63149798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).