2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol

C13H23N7O — CID 136551906

IUPAC2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(NCc2nnn(C(C)(C)C)n2)c1C
InChIInChI=1S/C13H23N7O/c1-9-10(2)16-19(6-7-21)12(9)14-8-11-15-18-20(17-11)13(3,4)5/h14,21H,6-8H2,1-5H3
InChIKeyAYHYJTPBOZQTTD-UHFFFAOYSA-N
MW293.38 g/mol
LogP0.85
Rot. Bonds5

About 2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol

2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol (PubChem CID 136551906) has the molecular formula C13H23N7O and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol
PubChem CID136551906
Molecular FormulaC13H23N7O
Molecular Weight293.38 g/mol
Exact Mass293.20
IUPAC Name2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(NCc2nnn(C(C)(C)C)n2)c1C
InChIInChI=1S/C13H23N7O/c1-9-10(2)16-19(6-7-21)12(9)14-8-11-15-18-20(17-11)13(3,4)5/h14,21H,6-8H2,1-5H3
InChIKeyAYHYJTPBOZQTTD-UHFFFAOYSA-N
XLogP0.85
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol (CID 136551906) is 2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol is Cc1nn(CCO)c(NCc2nnn(C(C)(C)C)n2)c1C.
What is the InChIKey of 2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol?
The InChIKey is AYHYJTPBOZQTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7O/c1-9-10(2)16-19(6-7-21)12(9)14-8-11-15-18-20(17-11)13(3,4)5/h14,21H,6-8H2,1-5H3.
What are the key properties of 2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol?
2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol has a molecular weight of 293.38 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 136551906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).