2,3-dimethyl-3-[(1-methyltetrazol-5-yl)amino]butan-2-ol

C8H17N5O — CID 106185296

IUPAC2,3-dimethyl-3-[(1-methyltetrazol-5-yl)amino]butan-2-ol
SMILESCn1nnnc1NC(C)(C)C(C)(C)O
InChIInChI=1S/C8H17N5O/c1-7(2,8(3,4)14)9-6-10-11-12-13(6)5/h14H,1-5H3,(H,9,10,12)
InChIKeyNATANLHMNAHEJM-UHFFFAOYSA-N
MW199.26 g/mol
LogP0.17
Rot. Bonds3

About 2,3-dimethyl-3-[(1-methyltetrazol-5-yl)amino]butan-2-ol

2,3-dimethyl-3-[(1-methyltetrazol-5-yl)amino]butan-2-ol (PubChem CID 106185296) has the molecular formula C8H17N5O and a molecular weight of 199.26 g/mol. Its IUPAC name is 2,3-dimethyl-3-[(1-methyltetrazol-5-yl)amino]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-[(1-methyltetrazol-5-yl)amino]butan-2-ol
PubChem CID106185296
Molecular FormulaC8H17N5O
Molecular Weight199.26 g/mol
Exact Mass199.14
IUPAC Name2,3-dimethyl-3-[(1-methyltetrazol-5-yl)amino]butan-2-ol
SMILESCn1nnnc1NC(C)(C)C(C)(C)O
InChIInChI=1S/C8H17N5O/c1-7(2,8(3,4)14)9-6-10-11-12-13(6)5/h14H,1-5H3,(H,9,10,12)
InChIKeyNATANLHMNAHEJM-UHFFFAOYSA-N
XLogP0.17
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-[(1-methyltetrazol-5-yl)amino]butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-[(1-methyltetrazol-5-yl)amino]butan-2-ol (CID 106185296) is 2,3-dimethyl-3-[(1-methyltetrazol-5-yl)amino]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-[(1-methyltetrazol-5-yl)amino]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-[(1-methyltetrazol-5-yl)amino]butan-2-ol is Cn1nnnc1NC(C)(C)C(C)(C)O.
What is the InChIKey of 2,3-dimethyl-3-[(1-methyltetrazol-5-yl)amino]butan-2-ol?
The InChIKey is NATANLHMNAHEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O/c1-7(2,8(3,4)14)9-6-10-11-12-13(6)5/h14H,1-5H3,(H,9,10,12).
What are the key properties of 2,3-dimethyl-3-[(1-methyltetrazol-5-yl)amino]butan-2-ol?
2,3-dimethyl-3-[(1-methyltetrazol-5-yl)amino]butan-2-ol has a molecular weight of 199.26 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-[(1-methyltetrazol-5-yl)amino]butan-2-ol is sourced from PubChem (CID 106185296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).