2-[propan-2-yl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol

C10H21N5O — CID 60693648

IUPAC2-[propan-2-yl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol
SMILESCCCn1nnnc1CN(CCO)C(C)C
InChIInChI=1S/C10H21N5O/c1-4-5-15-10(11-12-13-15)8-14(6-7-16)9(2)3/h9,16H,4-8H2,1-3H3
InChIKeyGGUBKHGAXRXUBE-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.29
Rot. Bonds7

About 2-[propan-2-yl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol

2-[propan-2-yl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol (PubChem CID 60693648) has the molecular formula C10H21N5O and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[propan-2-yl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[propan-2-yl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol
PubChem CID60693648
Molecular FormulaC10H21N5O
Molecular Weight227.31 g/mol
Exact Mass227.17
IUPAC Name2-[propan-2-yl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol
SMILESCCCn1nnnc1CN(CCO)C(C)C
InChIInChI=1S/C10H21N5O/c1-4-5-15-10(11-12-13-15)8-14(6-7-16)9(2)3/h9,16H,4-8H2,1-3H3
InChIKeyGGUBKHGAXRXUBE-UHFFFAOYSA-N
XLogP0.29
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol?
The IUPAC name of 2-[propan-2-yl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol (CID 60693648) is 2-[propan-2-yl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[propan-2-yl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[propan-2-yl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol is CCCn1nnnc1CN(CCO)C(C)C.
What is the InChIKey of 2-[propan-2-yl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol?
The InChIKey is GGUBKHGAXRXUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O/c1-4-5-15-10(11-12-13-15)8-14(6-7-16)9(2)3/h9,16H,4-8H2,1-3H3.
What are the key properties of 2-[propan-2-yl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol?
2-[propan-2-yl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol has a molecular weight of 227.31 g/mol, XLogP of 0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol is sourced from PubChem (CID 60693648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).