N-[1-(furan-2-yl)propyl]-3-(5-methyltetrazol-1-yl)aniline

C15H17N5O — CID 62633991

IUPACN-[1-(furan-2-yl)propyl]-3-(5-methyltetrazol-1-yl)aniline
SMILESCCC(Nc1cccc(-n2nnnc2C)c1)c1ccco1
InChIInChI=1S/C15H17N5O/c1-3-14(15-8-5-9-21-15)16-12-6-4-7-13(10-12)20-11(2)17-18-19-20/h4-10,14,16H,3H2,1-2H3
InChIKeyCTUOYTPYMSGFDX-UHFFFAOYSA-N
MW283.34 g/mol
LogP3.13
Rot. Bonds5

About N-[1-(furan-2-yl)propyl]-3-(5-methyltetrazol-1-yl)aniline

N-[1-(furan-2-yl)propyl]-3-(5-methyltetrazol-1-yl)aniline (PubChem CID 62633991) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propyl]-3-(5-methyltetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propyl]-3-(5-methyltetrazol-1-yl)aniline
PubChem CID62633991
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC NameN-[1-(furan-2-yl)propyl]-3-(5-methyltetrazol-1-yl)aniline
SMILESCCC(Nc1cccc(-n2nnnc2C)c1)c1ccco1
InChIInChI=1S/C15H17N5O/c1-3-14(15-8-5-9-21-15)16-12-6-4-7-13(10-12)20-11(2)17-18-19-20/h4-10,14,16H,3H2,1-2H3
InChIKeyCTUOYTPYMSGFDX-UHFFFAOYSA-N
XLogP3.13
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(furan-2-yl)ethyl]-3-(5-methyltetrazol-1-yl)aniline
CID 43734008
N-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline
CID 43733948
3-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62631964
N-[(3-methylfuran-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 115744001
N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 115762802
3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline
CID 63951883
N-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 66398115
N-[3-[1-(furan-2-yl)propylamino]phenyl]methanesulfonamide
CID 62631438
2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43713354
[3-(5-methyltetrazol-1-yl)phenyl]thiourea
CID 169356763
3-[1-(furan-2-yl)propylamino]benzenesulfonamide
CID 62634130
3-(aminomethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 81070653

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propyl]-3-(5-methyltetrazol-1-yl)aniline?
The IUPAC name of N-[1-(furan-2-yl)propyl]-3-(5-methyltetrazol-1-yl)aniline (CID 62633991) is N-[1-(furan-2-yl)propyl]-3-(5-methyltetrazol-1-yl)aniline.
What is the SMILES notation for N-[1-(furan-2-yl)propyl]-3-(5-methyltetrazol-1-yl)aniline?
The canonical SMILES for N-[1-(furan-2-yl)propyl]-3-(5-methyltetrazol-1-yl)aniline is CCC(Nc1cccc(-n2nnnc2C)c1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)propyl]-3-(5-methyltetrazol-1-yl)aniline?
The InChIKey is CTUOYTPYMSGFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-3-14(15-8-5-9-21-15)16-12-6-4-7-13(10-12)20-11(2)17-18-19-20/h4-10,14,16H,3H2,1-2H3.
What are the key properties of N-[1-(furan-2-yl)propyl]-3-(5-methyltetrazol-1-yl)aniline?
N-[1-(furan-2-yl)propyl]-3-(5-methyltetrazol-1-yl)aniline has a molecular weight of 283.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propyl]-3-(5-methyltetrazol-1-yl)aniline is sourced from PubChem (CID 62633991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).