1-imidazol-1-yl-N-[(1-phenyltetrazol-5-yl)methyl]propan-2-amine

C14H17N7 — CID 62625643

IUPAC1-imidazol-1-yl-N-[(1-phenyltetrazol-5-yl)methyl]propan-2-amine
SMILESCC(Cn1ccnc1)NCc1nnnn1-c1ccccc1
InChIInChI=1S/C14H17N7/c1-12(10-20-8-7-15-11-20)16-9-14-17-18-19-21(14)13-5-3-2-4-6-13/h2-8,11-12,16H,9-10H2,1H3
InChIKeyZOBOVBOLBRVSHW-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.04
Rot. Bonds6

About 1-imidazol-1-yl-N-[(1-phenyltetrazol-5-yl)methyl]propan-2-amine

1-imidazol-1-yl-N-[(1-phenyltetrazol-5-yl)methyl]propan-2-amine (PubChem CID 62625643) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-[(1-phenyltetrazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-N-[(1-phenyltetrazol-5-yl)methyl]propan-2-amine
PubChem CID62625643
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name1-imidazol-1-yl-N-[(1-phenyltetrazol-5-yl)methyl]propan-2-amine
SMILESCC(Cn1ccnc1)NCc1nnnn1-c1ccccc1
InChIInChI=1S/C14H17N7/c1-12(10-20-8-7-15-11-20)16-9-14-17-18-19-21(14)13-5-3-2-4-6-13/h2-8,11-12,16H,9-10H2,1H3
InChIKeyZOBOVBOLBRVSHW-UHFFFAOYSA-N
XLogP1.04
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(imidazol-1-ylmethyl)-1-phenyltetrazole
CID 36795770
N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine
CID 60672263
1-N,1-N-diethyl-2-N-[(1-phenyltetrazol-5-yl)methyl]propane-1,2-diamine
CID 62627239
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
1-(5-methylfuran-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 60673289
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 62627609
(1R)-N-[(1-phenyltetrazol-5-yl)methyl]-1-[4-(triazol-1-yl)phenyl]ethanamine
CID 99851340
1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine
CID 43435620
1-imidazol-1-yl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 54958968
1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 78943044
1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
CID 43435560

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N-[(1-phenyltetrazol-5-yl)methyl]propan-2-amine?
The IUPAC name of 1-imidazol-1-yl-N-[(1-phenyltetrazol-5-yl)methyl]propan-2-amine (CID 62625643) is 1-imidazol-1-yl-N-[(1-phenyltetrazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-N-[(1-phenyltetrazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-N-[(1-phenyltetrazol-5-yl)methyl]propan-2-amine is CC(Cn1ccnc1)NCc1nnnn1-c1ccccc1.
What is the InChIKey of 1-imidazol-1-yl-N-[(1-phenyltetrazol-5-yl)methyl]propan-2-amine?
The InChIKey is ZOBOVBOLBRVSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-12(10-20-8-7-15-11-20)16-9-14-17-18-19-21(14)13-5-3-2-4-6-13/h2-8,11-12,16H,9-10H2,1H3.
What are the key properties of 1-imidazol-1-yl-N-[(1-phenyltetrazol-5-yl)methyl]propan-2-amine?
1-imidazol-1-yl-N-[(1-phenyltetrazol-5-yl)methyl]propan-2-amine has a molecular weight of 283.34 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N-[(1-phenyltetrazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 62625643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).