2-[5-[(4-propan-2-ylphenyl)methylamino]tetrazol-1-yl]ethanol

C13H19N5O — CID 39860848

IUPAC2-[5-[(4-propan-2-ylphenyl)methylamino]tetrazol-1-yl]ethanol
SMILESCC(C)c1ccc(CNc2nnnn2CCO)cc1
InChIInChI=1S/C13H19N5O/c1-10(2)12-5-3-11(4-6-12)9-14-13-15-16-17-18(13)7-8-19/h3-6,10,19H,7-9H2,1-2H3,(H,14,15,17)
InChIKeyWNLIQGNTWBJXKE-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.40
Rot. Bonds6

About 2-[5-[(4-propan-2-ylphenyl)methylamino]tetrazol-1-yl]ethanol

2-[5-[(4-propan-2-ylphenyl)methylamino]tetrazol-1-yl]ethanol (PubChem CID 39860848) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[5-[(4-propan-2-ylphenyl)methylamino]tetrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(4-propan-2-ylphenyl)methylamino]tetrazol-1-yl]ethanol
PubChem CID39860848
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-[5-[(4-propan-2-ylphenyl)methylamino]tetrazol-1-yl]ethanol
SMILESCC(C)c1ccc(CNc2nnnn2CCO)cc1
InChIInChI=1S/C13H19N5O/c1-10(2)12-5-3-11(4-6-12)9-14-13-15-16-17-18(13)7-8-19/h3-6,10,19H,7-9H2,1-2H3,(H,14,15,17)
InChIKeyWNLIQGNTWBJXKE-UHFFFAOYSA-N
XLogP1.40
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-propoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 44615786
1-propyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine
CID 4726983
N-[(4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
CID 4726685
1-ethyl-4-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine
CID 106567350
N-[[4-(2-aminoethyl)phenyl]methyl]-1-methyltetrazol-5-amine
CID 63150195
1-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]tetrazol-5-amine
CID 9107188
N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 4726800
1-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]pyrazol-4-amine
CID 62904044
1-ethyl-N-[(4-phenylmethoxyphenyl)methyl]tetrazol-5-amine
CID 4727455
1-methyl-5-(4-phenylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine
CID 3928516
4-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylbutan-1-ol
CID 110931394
1-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine
CID 103385548

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-propan-2-ylphenyl)methylamino]tetrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[(4-propan-2-ylphenyl)methylamino]tetrazol-1-yl]ethanol (CID 39860848) is 2-[5-[(4-propan-2-ylphenyl)methylamino]tetrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[(4-propan-2-ylphenyl)methylamino]tetrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[(4-propan-2-ylphenyl)methylamino]tetrazol-1-yl]ethanol is CC(C)c1ccc(CNc2nnnn2CCO)cc1.
What is the InChIKey of 2-[5-[(4-propan-2-ylphenyl)methylamino]tetrazol-1-yl]ethanol?
The InChIKey is WNLIQGNTWBJXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-10(2)12-5-3-11(4-6-12)9-14-13-15-16-17-18(13)7-8-19/h3-6,10,19H,7-9H2,1-2H3,(H,14,15,17).
What are the key properties of 2-[5-[(4-propan-2-ylphenyl)methylamino]tetrazol-1-yl]ethanol?
2-[5-[(4-propan-2-ylphenyl)methylamino]tetrazol-1-yl]ethanol has a molecular weight of 261.33 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-propan-2-ylphenyl)methylamino]tetrazol-1-yl]ethanol is sourced from PubChem (CID 39860848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).