N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2H-tetrazol-5-amine;hydrochloride

C12H11Cl2N5O — CID 163328000

IUPACN-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2H-tetrazol-5-amine;hydrochloride
SMILESCl.Clc1cccc(-c2ccc(CNc3nn[nH]n3)o2)c1
InChIInChI=1S/C12H10ClN5O.ClH/c13-9-3-1-2-8(6-9)11-5-4-10(19-11)7-14-12-15-17-18-16-12;/h1-6H,7H2,(H2,14,15,16,17,18);1H
InChIKeyMUCVTSVRBYHXRR-UHFFFAOYSA-N
MW312.16 g/mol
LogP3.15
Rot. Bonds4

About N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2H-tetrazol-5-amine;hydrochloride

N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2H-tetrazol-5-amine;hydrochloride (PubChem CID 163328000) has the molecular formula C12H11Cl2N5O and a molecular weight of 312.16 g/mol. Its IUPAC name is N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2H-tetrazol-5-amine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2H-tetrazol-5-amine;hydrochloride
PubChem CID163328000
Molecular FormulaC12H11Cl2N5O
Molecular Weight312.16 g/mol
Exact Mass311.03
IUPAC NameN-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2H-tetrazol-5-amine;hydrochloride
SMILESCl.Clc1cccc(-c2ccc(CNc3nn[nH]n3)o2)c1
InChIInChI=1S/C12H10ClN5O.ClH/c13-9-3-1-2-8(6-9)11-5-4-10(19-11)7-14-12-15-17-18-16-12;/h1-6H,7H2,(H2,14,15,16,17,18);1H
InChIKeyMUCVTSVRBYHXRR-UHFFFAOYSA-N
XLogP3.15
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17332192
5-[[5-(3-chlorophenyl)furan-2-yl]methylamino]benzimidazol-2-one
CID 73220451
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 4723692
N-[(5-ethylfuran-2-yl)methyl]-2H-tetrazol-5-amine
CID 130616208
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]cycloheptanamine;hydrochloride
CID 17332202
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride
CID 17332170
1-[5-(3-chlorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17332172
2-chloro-5-[[5-(3-chlorophenyl)furan-2-yl]methylamino]benzoic acid
CID 17058476
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine
CID 4723727
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209837
(1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 8622797
(2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid
CID 95003401

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2H-tetrazol-5-amine;hydrochloride?
The IUPAC name of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2H-tetrazol-5-amine;hydrochloride (CID 163328000) is N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2H-tetrazol-5-amine;hydrochloride.
What is the SMILES notation for N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2H-tetrazol-5-amine;hydrochloride?
The canonical SMILES for N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2H-tetrazol-5-amine;hydrochloride is Cl.Clc1cccc(-c2ccc(CNc3nn[nH]n3)o2)c1.
What is the InChIKey of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2H-tetrazol-5-amine;hydrochloride?
The InChIKey is MUCVTSVRBYHXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O.ClH/c13-9-3-1-2-8(6-9)11-5-4-10(19-11)7-14-12-15-17-18-16-12;/h1-6H,7H2,(H2,14,15,16,17,18);1H.
What are the key properties of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2H-tetrazol-5-amine;hydrochloride?
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2H-tetrazol-5-amine;hydrochloride has a molecular weight of 312.16 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2H-tetrazol-5-amine;hydrochloride is sourced from PubChem (CID 163328000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).