2-(5-bromo-3-methyltriazol-4-yl)-4-(propan-2-ylamino)butan-2-ol

C10H19BrN4O — CID 106463854

IUPAC2-(5-bromo-3-methyltriazol-4-yl)-4-(propan-2-ylamino)butan-2-ol
SMILESCC(C)NCCC(C)(O)c1c(Br)nnn1C
InChIInChI=1S/C10H19BrN4O/c1-7(2)12-6-5-10(3,16)8-9(11)13-14-15(8)4/h7,12,16H,5-6H2,1-4H3
InChIKeyDNEZOEZSZHALJE-UHFFFAOYSA-N
MW291.19 g/mol
LogP1.17
Rot. Bonds5

About 2-(5-bromo-3-methyltriazol-4-yl)-4-(propan-2-ylamino)butan-2-ol

2-(5-bromo-3-methyltriazol-4-yl)-4-(propan-2-ylamino)butan-2-ol (PubChem CID 106463854) has the molecular formula C10H19BrN4O and a molecular weight of 291.19 g/mol. Its IUPAC name is 2-(5-bromo-3-methyltriazol-4-yl)-4-(propan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name2-(5-bromo-3-methyltriazol-4-yl)-4-(propan-2-ylamino)butan-2-ol
PubChem CID106463854
Molecular FormulaC10H19BrN4O
Molecular Weight291.19 g/mol
Exact Mass290.07
IUPAC Name2-(5-bromo-3-methyltriazol-4-yl)-4-(propan-2-ylamino)butan-2-ol
SMILESCC(C)NCCC(C)(O)c1c(Br)nnn1C
InChIInChI=1S/C10H19BrN4O/c1-7(2)12-6-5-10(3,16)8-9(11)13-14-15(8)4/h7,12,16H,5-6H2,1-4H3
InChIKeyDNEZOEZSZHALJE-UHFFFAOYSA-N
XLogP1.17
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-methyltriazol-4-yl)-4-(propan-2-ylamino)butan-2-ol?
The IUPAC name of 2-(5-bromo-3-methyltriazol-4-yl)-4-(propan-2-ylamino)butan-2-ol (CID 106463854) is 2-(5-bromo-3-methyltriazol-4-yl)-4-(propan-2-ylamino)butan-2-ol.
What is the SMILES notation for 2-(5-bromo-3-methyltriazol-4-yl)-4-(propan-2-ylamino)butan-2-ol?
The canonical SMILES for 2-(5-bromo-3-methyltriazol-4-yl)-4-(propan-2-ylamino)butan-2-ol is CC(C)NCCC(C)(O)c1c(Br)nnn1C.
What is the InChIKey of 2-(5-bromo-3-methyltriazol-4-yl)-4-(propan-2-ylamino)butan-2-ol?
The InChIKey is DNEZOEZSZHALJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN4O/c1-7(2)12-6-5-10(3,16)8-9(11)13-14-15(8)4/h7,12,16H,5-6H2,1-4H3.
What are the key properties of 2-(5-bromo-3-methyltriazol-4-yl)-4-(propan-2-ylamino)butan-2-ol?
2-(5-bromo-3-methyltriazol-4-yl)-4-(propan-2-ylamino)butan-2-ol has a molecular weight of 291.19 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-methyltriazol-4-yl)-4-(propan-2-ylamino)butan-2-ol is sourced from PubChem (CID 106463854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).