1-(furan-2-yl)-N,N-dimethyl-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine

C15H18N6O — CID 2999732

IUPAC1-(furan-2-yl)-N,N-dimethyl-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
SMILESCN(C)C(CNc1nnnn1-c1ccccc1)c1ccco1
InChIInChI=1S/C15H18N6O/c1-20(2)13(14-9-6-10-22-14)11-16-15-17-18-19-21(15)12-7-4-3-5-8-12/h3-10,13H,11H2,1-2H3,(H,16,17,19)
InChIKeyNXRNGBJDDMKWIJ-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.97
Rot. Bonds6

About 1-(furan-2-yl)-N,N-dimethyl-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine

1-(furan-2-yl)-N,N-dimethyl-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine (PubChem CID 2999732) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(furan-2-yl)-N,N-dimethyl-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N,N-dimethyl-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
PubChem CID2999732
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name1-(furan-2-yl)-N,N-dimethyl-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
SMILESCN(C)C(CNc1nnnn1-c1ccccc1)c1ccco1
InChIInChI=1S/C15H18N6O/c1-20(2)13(14-9-6-10-22-14)11-16-15-17-18-19-21(15)12-7-4-3-5-8-12/h3-10,13H,11H2,1-2H3,(H,16,17,19)
InChIKeyNXRNGBJDDMKWIJ-UHFFFAOYSA-N
XLogP1.97
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N~3~-(2-furylmethyl)-1-phenyl-1H-1,2,4-triazole-3,5-diamine
CID 884997
N-(furan-2-ylmethylcarbamoyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2621198
1-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)tetrazol-5-amine
CID 145951973
N-Furan-2-ylmethyl-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 656266
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 16315931
N-(4-ethoxyphenyl)-5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 90644733
1-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride
CID 90644735
1-N-ethyl-4-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]benzene-1,4-diamine;hydrochloride
CID 90644739
N-[(furan-2-yl)methyl]-1-[1-(4-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclopentan-1-amine
CID 4989242
N-(furan-2-ylmethyl)-1-[1-(3-methylphenyl)-1H-tetrazol-5-yl]cyclohexanamine
CID 45600570
N-(furan-2-ylmethyl)-1-[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]cyclohexanamine
CID 45600582
1-(2-fluorophenyl)-N-(furan-2-ylmethyl)tetrazol-5-amine
CID 178305556

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N,N-dimethyl-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine?
The IUPAC name of 1-(furan-2-yl)-N,N-dimethyl-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine (CID 2999732) is 1-(furan-2-yl)-N,N-dimethyl-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(furan-2-yl)-N,N-dimethyl-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(furan-2-yl)-N,N-dimethyl-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine is CN(C)C(CNc1nnnn1-c1ccccc1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N,N-dimethyl-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine?
The InChIKey is NXRNGBJDDMKWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-20(2)13(14-9-6-10-22-14)11-16-15-17-18-19-21(15)12-7-4-3-5-8-12/h3-10,13H,11H2,1-2H3,(H,16,17,19).
What are the key properties of 1-(furan-2-yl)-N,N-dimethyl-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine?
1-(furan-2-yl)-N,N-dimethyl-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine has a molecular weight of 298.35 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N,N-dimethyl-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 2999732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).