2-[ethyl-(1-methyltetrazol-5-yl)amino]ethanol

C6H13N5O — CID 63149709

IUPAC2-[ethyl-(1-methyltetrazol-5-yl)amino]ethanol
SMILESCCN(CCO)c1nnnn1C
InChIInChI=1S/C6H13N5O/c1-3-11(4-5-12)6-7-8-9-10(6)2/h12H,3-5H2,1-2H3
InChIKeyRRTLBSKTIFQGCF-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.97
Rot. Bonds4

About 2-[ethyl-(1-methyltetrazol-5-yl)amino]ethanol

2-[ethyl-(1-methyltetrazol-5-yl)amino]ethanol (PubChem CID 63149709) has the molecular formula C6H13N5O and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-[ethyl-(1-methyltetrazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-(1-methyltetrazol-5-yl)amino]ethanol
PubChem CID63149709
Molecular FormulaC6H13N5O
Molecular Weight171.20 g/mol
Exact Mass171.11
IUPAC Name2-[ethyl-(1-methyltetrazol-5-yl)amino]ethanol
SMILESCCN(CCO)c1nnnn1C
InChIInChI=1S/C6H13N5O/c1-3-11(4-5-12)6-7-8-9-10(6)2/h12H,3-5H2,1-2H3
InChIKeyRRTLBSKTIFQGCF-UHFFFAOYSA-N
XLogP-0.97
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(1-methyltetrazol-5-yl)amino]ethanol?
The IUPAC name of 2-[ethyl-(1-methyltetrazol-5-yl)amino]ethanol (CID 63149709) is 2-[ethyl-(1-methyltetrazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[ethyl-(1-methyltetrazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[ethyl-(1-methyltetrazol-5-yl)amino]ethanol is CCN(CCO)c1nnnn1C.
What is the InChIKey of 2-[ethyl-(1-methyltetrazol-5-yl)amino]ethanol?
The InChIKey is RRTLBSKTIFQGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O/c1-3-11(4-5-12)6-7-8-9-10(6)2/h12H,3-5H2,1-2H3.
What are the key properties of 2-[ethyl-(1-methyltetrazol-5-yl)amino]ethanol?
2-[ethyl-(1-methyltetrazol-5-yl)amino]ethanol has a molecular weight of 171.20 g/mol, XLogP of -0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(1-methyltetrazol-5-yl)amino]ethanol is sourced from PubChem (CID 63149709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).