N-[[(3S)-oxolan-3-yl]methyl]-1-phenyltetrazol-5-amine

C12H15N5O — CID 93422505

IUPACN-[[(3S)-oxolan-3-yl]methyl]-1-phenyltetrazol-5-amine
SMILESc1ccc(-n2nnnc2NC[C@@H]2CCOC2)cc1
InChIInChI=1S/C12H15N5O/c1-2-4-11(5-3-1)17-12(14-15-16-17)13-8-10-6-7-18-9-10/h1-5,10H,6-9H2,(H,13,14,16)/t10-/m0/s1
InChIKeyJYVNDNDFPOPQPQ-JTQLQIEISA-N
MW245.29 g/mol
LogP1.11
Rot. Bonds4

About N-[[(3S)-oxolan-3-yl]methyl]-1-phenyltetrazol-5-amine

N-[[(3S)-oxolan-3-yl]methyl]-1-phenyltetrazol-5-amine (PubChem CID 93422505) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[[(3S)-oxolan-3-yl]methyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[(3S)-oxolan-3-yl]methyl]-1-phenyltetrazol-5-amine
PubChem CID93422505
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[[(3S)-oxolan-3-yl]methyl]-1-phenyltetrazol-5-amine
SMILESc1ccc(-n2nnnc2NC[C@@H]2CCOC2)cc1
InChIInChI=1S/C12H15N5O/c1-2-4-11(5-3-1)17-12(14-15-16-17)13-8-10-6-7-18-9-10/h1-5,10H,6-9H2,(H,13,14,16)/t10-/m0/s1
InChIKeyJYVNDNDFPOPQPQ-JTQLQIEISA-N
XLogP1.11
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(3S)-oxolan-3-yl]methyl]-1-phenyltetrazol-5-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3-aminocyclobutyl)methyl]-1-phenyltetrazol-5-amine
CID 66007158
N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine
CID 8001539
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyltetrazol-5-amine
CID 60855788
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1-phenyltetrazol-5-amine
CID 42943739
N-[(2-aminocyclohexyl)methyl]-1-phenyltetrazol-5-amine
CID 64927678
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1-phenyltetrazol-5-amine
CID 125435857
2-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 102671747
N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 106026908
N-[(4-methoxyoxan-4-yl)methyl]-1-phenyltetrazol-5-amine
CID 133400034
N-(oxolan-3-ylmethyl)-4-(tetrazol-1-yl)aniline
CID 43201828
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-phenyltetrazol-5-amine
CID 133459238
N-[(1-butylpiperidin-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 133301225

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-oxolan-3-yl]methyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[[(3S)-oxolan-3-yl]methyl]-1-phenyltetrazol-5-amine (CID 93422505) is N-[[(3S)-oxolan-3-yl]methyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[[(3S)-oxolan-3-yl]methyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[[(3S)-oxolan-3-yl]methyl]-1-phenyltetrazol-5-amine is c1ccc(-n2nnnc2NC[C@@H]2CCOC2)cc1.
What is the InChIKey of N-[[(3S)-oxolan-3-yl]methyl]-1-phenyltetrazol-5-amine?
The InChIKey is JYVNDNDFPOPQPQ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15N5O/c1-2-4-11(5-3-1)17-12(14-15-16-17)13-8-10-6-7-18-9-10/h1-5,10H,6-9H2,(H,13,14,16)/t10-/m0/s1.
What are the key properties of N-[[(3S)-oxolan-3-yl]methyl]-1-phenyltetrazol-5-amine?
N-[[(3S)-oxolan-3-yl]methyl]-1-phenyltetrazol-5-amine has a molecular weight of 245.29 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-oxolan-3-yl]methyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 93422505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).