2,4-dimethyl-1-[(1-methyltetrazol-5-yl)amino]pentan-2-ol

C9H19N5O — CID 66180774

IUPAC2,4-dimethyl-1-[(1-methyltetrazol-5-yl)amino]pentan-2-ol
SMILESCC(C)CC(C)(O)CNc1nnnn1C
InChIInChI=1S/C9H19N5O/c1-7(2)5-9(3,15)6-10-8-11-12-13-14(8)4/h7,15H,5-6H2,1-4H3,(H,10,11,13)
InChIKeyRLSCOBIUQRNNCR-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.42
Rot. Bonds5

About 2,4-dimethyl-1-[(1-methyltetrazol-5-yl)amino]pentan-2-ol

2,4-dimethyl-1-[(1-methyltetrazol-5-yl)amino]pentan-2-ol (PubChem CID 66180774) has the molecular formula C9H19N5O and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(1-methyltetrazol-5-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-[(1-methyltetrazol-5-yl)amino]pentan-2-ol
PubChem CID66180774
Molecular FormulaC9H19N5O
Molecular Weight213.28 g/mol
Exact Mass213.16
IUPAC Name2,4-dimethyl-1-[(1-methyltetrazol-5-yl)amino]pentan-2-ol
SMILESCC(C)CC(C)(O)CNc1nnnn1C
InChIInChI=1S/C9H19N5O/c1-7(2)5-9(3,15)6-10-8-11-12-13-14(8)4/h7,15H,5-6H2,1-4H3,(H,10,11,13)
InChIKeyRLSCOBIUQRNNCR-UHFFFAOYSA-N
XLogP0.42
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[(1-methyltetrazol-5-yl)amino]pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-[(1-methyltetrazol-5-yl)amino]pentan-2-ol (CID 66180774) is 2,4-dimethyl-1-[(1-methyltetrazol-5-yl)amino]pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-[(1-methyltetrazol-5-yl)amino]pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-[(1-methyltetrazol-5-yl)amino]pentan-2-ol is CC(C)CC(C)(O)CNc1nnnn1C.
What is the InChIKey of 2,4-dimethyl-1-[(1-methyltetrazol-5-yl)amino]pentan-2-ol?
The InChIKey is RLSCOBIUQRNNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O/c1-7(2)5-9(3,15)6-10-8-11-12-13-14(8)4/h7,15H,5-6H2,1-4H3,(H,10,11,13).
What are the key properties of 2,4-dimethyl-1-[(1-methyltetrazol-5-yl)amino]pentan-2-ol?
2,4-dimethyl-1-[(1-methyltetrazol-5-yl)amino]pentan-2-ol has a molecular weight of 213.28 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(1-methyltetrazol-5-yl)amino]pentan-2-ol is sourced from PubChem (CID 66180774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).