N-[(2-chloro-4,5-diethoxyphenyl)methyl]-2H-tetrazol-5-amine

C12H16ClN5O2 — CID 66542076

IUPACN-[(2-chloro-4,5-diethoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESCCOc1cc(Cl)c(CNc2nn[nH]n2)cc1OCC
InChIInChI=1S/C12H16ClN5O2/c1-3-19-10-5-8(7-14-12-15-17-18-16-12)9(13)6-11(10)20-4-2/h5-6H,3-4,7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyFBTKPNXWNAJTRU-UHFFFAOYSA-N
MW297.75 g/mol
LogP2.26
Rot. Bonds7

About N-[(2-chloro-4,5-diethoxyphenyl)methyl]-2H-tetrazol-5-amine

N-[(2-chloro-4,5-diethoxyphenyl)methyl]-2H-tetrazol-5-amine (PubChem CID 66542076) has the molecular formula C12H16ClN5O2 and a molecular weight of 297.75 g/mol. Its IUPAC name is N-[(2-chloro-4,5-diethoxyphenyl)methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-chloro-4,5-diethoxyphenyl)methyl]-2H-tetrazol-5-amine
PubChem CID66542076
Molecular FormulaC12H16ClN5O2
Molecular Weight297.75 g/mol
Exact Mass297.10
IUPAC NameN-[(2-chloro-4,5-diethoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESCCOc1cc(Cl)c(CNc2nn[nH]n2)cc1OCC
InChIInChI=1S/C12H16ClN5O2/c1-3-19-10-5-8(7-14-12-15-17-18-16-12)9(13)6-11(10)20-4-2/h5-6H,3-4,7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyFBTKPNXWNAJTRU-UHFFFAOYSA-N
XLogP2.26
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66542157
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66542280
N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66543142
N-[[2-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
CID 66541905
N-[(2-chloro-4,5-diethoxyphenyl)methyl]aniline
CID 66541803
N-[(2,4,5-trimethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 4726696
N-[(2-chloro-4,5-diethoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
CID 66541765
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 4725454
2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol
CID 66532485
N-[(2-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine
CID 66532386
4-bromo-N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]aniline
CID 66541758
N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine
CID 66532430

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4,5-diethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[(2-chloro-4,5-diethoxyphenyl)methyl]-2H-tetrazol-5-amine (CID 66542076) is N-[(2-chloro-4,5-diethoxyphenyl)methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(2-chloro-4,5-diethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(2-chloro-4,5-diethoxyphenyl)methyl]-2H-tetrazol-5-amine is CCOc1cc(Cl)c(CNc2nn[nH]n2)cc1OCC.
What is the InChIKey of N-[(2-chloro-4,5-diethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The InChIKey is FBTKPNXWNAJTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O2/c1-3-19-10-5-8(7-14-12-15-17-18-16-12)9(13)6-11(10)20-4-2/h5-6H,3-4,7H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of N-[(2-chloro-4,5-diethoxyphenyl)methyl]-2H-tetrazol-5-amine?
N-[(2-chloro-4,5-diethoxyphenyl)methyl]-2H-tetrazol-5-amine has a molecular weight of 297.75 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4,5-diethoxyphenyl)methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 66542076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).