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

C8H15N5O — CID 130159450

IUPAC2-cyclopropyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol
SMILESCn1nnnc1NCC(C)(O)C1CC1
InChIInChI=1S/C8H15N5O/c1-8(14,6-3-4-6)5-9-7-10-11-12-13(7)2/h6,14H,3-5H2,1-2H3,(H,9,10,12)
InChIKeyIHYWOKLUQBSILQ-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.22
Rot. Bonds4

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

2-cyclopropyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol (PubChem CID 130159450) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-cyclopropyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol
PubChem CID130159450
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name2-cyclopropyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol
SMILESCn1nnnc1NCC(C)(O)C1CC1
InChIInChI=1S/C8H15N5O/c1-8(14,6-3-4-6)5-9-7-10-11-12-13(7)2/h6,14H,3-5H2,1-2H3,(H,9,10,12)
InChIKeyIHYWOKLUQBSILQ-UHFFFAOYSA-N
XLogP-0.22
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
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-cyclopropyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol?
The IUPAC name of 2-cyclopropyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol (CID 130159450) is 2-cyclopropyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 2-cyclopropyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 2-cyclopropyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol is Cn1nnnc1NCC(C)(O)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol?
The InChIKey is IHYWOKLUQBSILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-8(14,6-3-4-6)5-9-7-10-11-12-13(7)2/h6,14H,3-5H2,1-2H3,(H,9,10,12).
What are the key properties of 2-cyclopropyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol?
2-cyclopropyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol has a molecular weight of 197.24 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-cyclopropyl-1-[(1-methyltetrazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 130159450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).