2-methyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol

C6H13N5O — CID 63940788

IUPAC2-methyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol
SMILESCn1nnnc1NCC(C)(C)O
InChIInChI=1S/C6H13N5O/c1-6(2,12)4-7-5-8-9-10-11(5)3/h12H,4H2,1-3H3,(H,7,8,10)
InChIKeyXQOVSQUTHLPWEV-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.61
Rot. Bonds3

About 2-methyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol

2-methyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol (PubChem CID 63940788) has the molecular formula C6H13N5O and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-methyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol
PubChem CID63940788
Molecular FormulaC6H13N5O
Molecular Weight171.20 g/mol
Exact Mass171.11
IUPAC Name2-methyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol
SMILESCn1nnnc1NCC(C)(C)O
InChIInChI=1S/C6H13N5O/c1-6(2,12)4-7-5-8-9-10-11(5)3/h12H,4H2,1-3H3,(H,7,8,10)
InChIKeyXQOVSQUTHLPWEV-UHFFFAOYSA-N
XLogP-0.61
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol (CID 63940788) is 2-methyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol is Cn1nnnc1NCC(C)(C)O.
What is the InChIKey of 2-methyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol?
The InChIKey is XQOVSQUTHLPWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O/c1-6(2,12)4-7-5-8-9-10-11(5)3/h12H,4H2,1-3H3,(H,7,8,10).
What are the key properties of 2-methyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol?
2-methyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol has a molecular weight of 171.20 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 63940788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).