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

C7H15N5O — CID 64557812

IUPAC2-methyl-2-[(1-methyltetrazol-5-yl)amino]butan-1-ol
SMILESCCC(C)(CO)Nc1nnnn1C
InChIInChI=1S/C7H15N5O/c1-4-7(2,5-13)8-6-9-10-11-12(6)3/h13H,4-5H2,1-3H3,(H,8,9,11)
InChIKeyTWLZMFMNVAJAIG-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.22
Rot. Bonds4

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

2-methyl-2-[(1-methyltetrazol-5-yl)amino]butan-1-ol (PubChem CID 64557812) has the molecular formula C7H15N5O and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-methyl-2-[(1-methyltetrazol-5-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(1-methyltetrazol-5-yl)amino]butan-1-ol
PubChem CID64557812
Molecular FormulaC7H15N5O
Molecular Weight185.23 g/mol
Exact Mass185.13
IUPAC Name2-methyl-2-[(1-methyltetrazol-5-yl)amino]butan-1-ol
SMILESCCC(C)(CO)Nc1nnnn1C
InChIInChI=1S/C7H15N5O/c1-4-7(2,5-13)8-6-9-10-11-12(6)3/h13H,4-5H2,1-3H3,(H,8,9,11)
InChIKeyTWLZMFMNVAJAIG-UHFFFAOYSA-N
XLogP-0.22
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-methyltetrazol-5-yl)amino]butan-1-ol?
The IUPAC name of 2-methyl-2-[(1-methyltetrazol-5-yl)amino]butan-1-ol (CID 64557812) is 2-methyl-2-[(1-methyltetrazol-5-yl)amino]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[(1-methyltetrazol-5-yl)amino]butan-1-ol?
The canonical SMILES for 2-methyl-2-[(1-methyltetrazol-5-yl)amino]butan-1-ol is CCC(C)(CO)Nc1nnnn1C.
What is the InChIKey of 2-methyl-2-[(1-methyltetrazol-5-yl)amino]butan-1-ol?
The InChIKey is TWLZMFMNVAJAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O/c1-4-7(2,5-13)8-6-9-10-11-12(6)3/h13H,4-5H2,1-3H3,(H,8,9,11).
What are the key properties of 2-methyl-2-[(1-methyltetrazol-5-yl)amino]butan-1-ol?
2-methyl-2-[(1-methyltetrazol-5-yl)amino]butan-1-ol has a molecular weight of 185.23 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-methyltetrazol-5-yl)amino]butan-1-ol is sourced from PubChem (CID 64557812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).