1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

C14H23N5 — CID 47035022

IUPAC1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESC1CCC2C(C1)CCCN2Cc1nnnn1C1CC1
InChIInChI=1S/C14H23N5/c1-2-6-13-11(4-1)5-3-9-18(13)10-14-15-16-17-19(14)12-7-8-12/h11-13H,1-10H2
InChIKeyRACPYTXGJZMQDU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.16
Rot. Bonds3

About 1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (PubChem CID 47035022) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.

Molecular Properties

Compound Name1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
PubChem CID47035022
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESC1CCC2C(C1)CCCN2Cc1nnnn1C1CC1
InChIInChI=1S/C14H23N5/c1-2-6-13-11(4-1)5-3-9-18(13)10-14-15-16-17-19(14)12-7-8-12/h11-13H,1-10H2
InChIKeyRACPYTXGJZMQDU-UHFFFAOYSA-N
XLogP2.16
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The IUPAC name of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (CID 47035022) is 1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.
What is the SMILES notation for 1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The canonical SMILES for 1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is C1CCC2C(C1)CCCN2Cc1nnnn1C1CC1.
What is the InChIKey of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The InChIKey is RACPYTXGJZMQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-2-6-13-11(4-1)5-3-9-18(13)10-14-15-16-17-19(14)12-7-8-12/h11-13H,1-10H2.
What are the key properties of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline has a molecular weight of 261.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is sourced from PubChem (CID 47035022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).