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

C17H24N6 — CID 125435857

IUPACN-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1-phenyltetrazol-5-amine
SMILESc1ccc(-n2nnnc2NC[C@@H]2CCN(C3CCCC3)C2)cc1
InChIInChI=1S/C17H24N6/c1-2-8-16(9-3-1)23-17(19-20-21-23)18-12-14-10-11-22(13-14)15-6-4-5-7-15/h1-3,8-9,14-15H,4-7,10-13H2,(H,18,19,21)/t14-/m0/s1
InChIKeyCHXFNJKJVWJRBQ-AWEZNQCLSA-N
MW312.42 g/mol
LogP2.34
Rot. Bonds5

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

N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1-phenyltetrazol-5-amine (PubChem CID 125435857) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1-phenyltetrazol-5-amine
PubChem CID125435857
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC NameN-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1-phenyltetrazol-5-amine
SMILESc1ccc(-n2nnnc2NC[C@@H]2CCN(C3CCCC3)C2)cc1
InChIInChI=1S/C17H24N6/c1-2-8-16(9-3-1)23-17(19-20-21-23)18-12-14-10-11-22(13-14)15-6-4-5-7-15/h1-3,8-9,14-15H,4-7,10-13H2,(H,18,19,21)/t14-/m0/s1
InChIKeyCHXFNJKJVWJRBQ-AWEZNQCLSA-N
XLogP2.34
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyltetrazol-5-amine
CID 60855788
N-[(2-aminocyclohexyl)methyl]-1-phenyltetrazol-5-amine
CID 64927678
N-[(3-aminocyclobutyl)methyl]-1-phenyltetrazol-5-amine
CID 66007158
N-[[(3S)-oxolan-3-yl]methyl]-1-phenyltetrazol-5-amine
CID 93422505
N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 106026908
N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine
CID 8001539
N-[(1-butylpiperidin-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 133301225
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methyl-1-phenyltriazole-4-carboxamide
CID 138999013
1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-1-phenyltetrazol-5-amine
CID 9025927
N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 104973734
[2-[(1-phenyltetrazol-5-yl)amino]cyclohexyl]methanol
CID 106362209

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1-phenyltetrazol-5-amine (CID 125435857) is N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1-phenyltetrazol-5-amine is c1ccc(-n2nnnc2NC[C@@H]2CCN(C3CCCC3)C2)cc1.
What is the InChIKey of N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1-phenyltetrazol-5-amine?
The InChIKey is CHXFNJKJVWJRBQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N6/c1-2-8-16(9-3-1)23-17(19-20-21-23)18-12-14-10-11-22(13-14)15-6-4-5-7-15/h1-3,8-9,14-15H,4-7,10-13H2,(H,18,19,21)/t14-/m0/s1.
What are the key properties of N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1-phenyltetrazol-5-amine?
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1-phenyltetrazol-5-amine has a molecular weight of 312.42 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 125435857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).