2-amino-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol

C10H20N4O — CID 64809255

IUPAC2-amino-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol
SMILESCc1nc(C)n(CCCC(C)(N)CO)n1
InChIInChI=1S/C10H20N4O/c1-8-12-9(2)14(13-8)6-4-5-10(3,11)7-15/h15H,4-7,11H2,1-3H3
InChIKeyQNKBCAFIMLXAKF-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.38
Rot. Bonds5

About 2-amino-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol

2-amino-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol (PubChem CID 64809255) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-amino-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol
PubChem CID64809255
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name2-amino-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol
SMILESCc1nc(C)n(CCCC(C)(N)CO)n1
InChIInChI=1S/C10H20N4O/c1-8-12-9(2)14(13-8)6-4-5-10(3,11)7-15/h15H,4-7,11H2,1-3H3
InChIKeyQNKBCAFIMLXAKF-UHFFFAOYSA-N
XLogP0.38
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 61924034
CID 61924034
CID 61943604
CID 61943604
CID 62229360
CID 62229360
CID 64808836
CID 64808836
CID 64808837
CID 64808837
CID 64809045
CID 64809045
CID 64809254
CID 64809254
CID 64809256
CID 64809256
CID 64809461
CID 64809461
CID 64809462
CID 64809462
CID 64809464
CID 64809464
CID 64809671
CID 64809671

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol?
The IUPAC name of 2-amino-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol (CID 64809255) is 2-amino-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol.
What is the SMILES notation for 2-amino-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol?
The canonical SMILES for 2-amino-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol is Cc1nc(C)n(CCCC(C)(N)CO)n1.
What is the InChIKey of 2-amino-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol?
The InChIKey is QNKBCAFIMLXAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-8-12-9(2)14(13-8)6-4-5-10(3,11)7-15/h15H,4-7,11H2,1-3H3.
What are the key properties of 2-amino-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol?
2-amino-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol has a molecular weight of 212.30 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol is sourced from PubChem (CID 64809255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).