1-N-[(5-chloro-2-methoxyphenyl)methyl]tetrazole-1,5-diamine

C9H11ClN6O — CID 4725991

IUPAC1-N-[(5-chloro-2-methoxyphenyl)methyl]tetrazole-1,5-diamine
SMILESCOc1ccc(Cl)cc1CNn1nnnc1N
InChIInChI=1S/C9H11ClN6O/c1-17-8-3-2-7(10)4-6(8)5-12-16-9(11)13-14-15-16/h2-4,12H,5H2,1H3,(H2,11,13,15)
InChIKeyHLNWCKLYEQMECN-UHFFFAOYSA-N
MW254.68 g/mol
LogP0.66
Rot. Bonds4

About 1-N-[(5-chloro-2-methoxyphenyl)methyl]tetrazole-1,5-diamine

1-N-[(5-chloro-2-methoxyphenyl)methyl]tetrazole-1,5-diamine (PubChem CID 4725991) has the molecular formula C9H11ClN6O and a molecular weight of 254.68 g/mol. Its IUPAC name is 1-N-[(5-chloro-2-methoxyphenyl)methyl]tetrazole-1,5-diamine.

Molecular Properties

Compound Name1-N-[(5-chloro-2-methoxyphenyl)methyl]tetrazole-1,5-diamine
PubChem CID4725991
Molecular FormulaC9H11ClN6O
Molecular Weight254.68 g/mol
Exact Mass254.07
IUPAC Name1-N-[(5-chloro-2-methoxyphenyl)methyl]tetrazole-1,5-diamine
SMILESCOc1ccc(Cl)cc1CNn1nnnc1N
InChIInChI=1S/C9H11ClN6O/c1-17-8-3-2-7(10)4-6(8)5-12-16-9(11)13-14-15-16/h2-4,12H,5H2,1H3,(H2,11,13,15)
InChIKeyHLNWCKLYEQMECN-UHFFFAOYSA-N
XLogP0.66
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine
CID 4727407
1-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4727411
2-[2-[[(5-aminotetrazol-1-yl)amino]methyl]-4-chlorophenoxy]-N-tert-butylacetamide
CID 17057947
1-N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine
CID 66539682
1-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4727280
1-N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine
CID 66539612
1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine
CID 115258490
N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine
CID 6485966
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine
CID 43410760
2-[(5-chloro-2-methoxyphenyl)methylamino]acetaldehyde
CID 115222884
2-[4-[(5-chloro-2-methoxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 61038393

Frequently Asked Questions

What is the IUPAC name of 1-N-[(5-chloro-2-methoxyphenyl)methyl]tetrazole-1,5-diamine?
The IUPAC name of 1-N-[(5-chloro-2-methoxyphenyl)methyl]tetrazole-1,5-diamine (CID 4725991) is 1-N-[(5-chloro-2-methoxyphenyl)methyl]tetrazole-1,5-diamine.
What is the SMILES notation for 1-N-[(5-chloro-2-methoxyphenyl)methyl]tetrazole-1,5-diamine?
The canonical SMILES for 1-N-[(5-chloro-2-methoxyphenyl)methyl]tetrazole-1,5-diamine is COc1ccc(Cl)cc1CNn1nnnc1N.
What is the InChIKey of 1-N-[(5-chloro-2-methoxyphenyl)methyl]tetrazole-1,5-diamine?
The InChIKey is HLNWCKLYEQMECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN6O/c1-17-8-3-2-7(10)4-6(8)5-12-16-9(11)13-14-15-16/h2-4,12H,5H2,1H3,(H2,11,13,15).
What are the key properties of 1-N-[(5-chloro-2-methoxyphenyl)methyl]tetrazole-1,5-diamine?
1-N-[(5-chloro-2-methoxyphenyl)methyl]tetrazole-1,5-diamine has a molecular weight of 254.68 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(5-chloro-2-methoxyphenyl)methyl]tetrazole-1,5-diamine is sourced from PubChem (CID 4725991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).