N-[(1-phenyltetrazol-5-yl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine

C17H20N8 — CID 95329826

IUPACN-[(1-phenyltetrazol-5-yl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
SMILESc1ccc(-n2nnnc2CNC[C@@H]2CCCN2c2cccnn2)cc1
InChIInChI=1S/C17H20N8/c1-2-6-14(7-3-1)25-17(21-22-23-25)13-18-12-15-8-5-11-24(15)16-9-4-10-19-20-16/h1-4,6-7,9-10,15,18H,5,8,11-13H2/t15-/m0/s1
InChIKeyNFYJGWZBTUGRKJ-HNNXBMFYSA-N
MW336.40 g/mol
LogP1.21
Rot. Bonds6

About N-[(1-phenyltetrazol-5-yl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine

N-[(1-phenyltetrazol-5-yl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine (PubChem CID 95329826) has the molecular formula C17H20N8 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(1-phenyltetrazol-5-yl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-[(1-phenyltetrazol-5-yl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
PubChem CID95329826
Molecular FormulaC17H20N8
Molecular Weight336.40 g/mol
Exact Mass336.18
IUPAC NameN-[(1-phenyltetrazol-5-yl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
SMILESc1ccc(-n2nnnc2CNC[C@@H]2CCCN2c2cccnn2)cc1
InChIInChI=1S/C17H20N8/c1-2-6-14(7-3-1)25-17(21-22-23-25)13-18-12-15-8-5-11-24(15)16-9-4-10-19-20-16/h1-4,6-7,9-10,15,18H,5,8,11-13H2/t15-/m0/s1
InChIKeyNFYJGWZBTUGRKJ-HNNXBMFYSA-N
XLogP1.21
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(1-phenyltetrazol-5-yl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine 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-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95600122
(2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol
CID 95600206
N-(2H-chromen-3-ylmethyl)-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95979097
1-(2-methylcyclopentyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 107417869
1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 63243666
N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600131
N-[(4-methylsulfonylphenyl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95610651
N-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600155
2-[[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]indolizine-1-carbonitrile
CID 95979126
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95764526
2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine
CID 95610324
1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 95610877

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenyltetrazol-5-yl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine?
The IUPAC name of N-[(1-phenyltetrazol-5-yl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine (CID 95329826) is N-[(1-phenyltetrazol-5-yl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-[(1-phenyltetrazol-5-yl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine?
The canonical SMILES for N-[(1-phenyltetrazol-5-yl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine is c1ccc(-n2nnnc2CNC[C@@H]2CCCN2c2cccnn2)cc1.
What is the InChIKey of N-[(1-phenyltetrazol-5-yl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine?
The InChIKey is NFYJGWZBTUGRKJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N8/c1-2-6-14(7-3-1)25-17(21-22-23-25)13-18-12-15-8-5-11-24(15)16-9-4-10-19-20-16/h1-4,6-7,9-10,15,18H,5,8,11-13H2/t15-/m0/s1.
What are the key properties of N-[(1-phenyltetrazol-5-yl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine?
N-[(1-phenyltetrazol-5-yl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine has a molecular weight of 336.40 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenyltetrazol-5-yl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 95329826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).