3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol

C12H24N4O — CID 66269304

IUPAC3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
SMILESCC(C)CC(C)NCc1cn(CCCO)nn1
InChIInChI=1S/C12H24N4O/c1-10(2)7-11(3)13-8-12-9-16(15-14-12)5-4-6-17/h9-11,13,17H,4-8H2,1-3H3
InChIKeyYHBRXVKEFUKJBB-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.18
Rot. Bonds8

About 3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol

3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol (PubChem CID 66269304) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
PubChem CID66269304
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
SMILESCC(C)CC(C)NCc1cn(CCCO)nn1
InChIInChI=1S/C12H24N4O/c1-10(2)7-11(3)13-8-12-9-16(15-14-12)5-4-6-17/h9-11,13,17H,4-8H2,1-3H3
InChIKeyYHBRXVKEFUKJBB-UHFFFAOYSA-N
XLogP1.18
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol
CID 66269866
3-[4-[[1-(diethylamino)propan-2-ylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269515
3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268933
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N,N,4-trimethylpentanamide
CID 66268924
2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol
CID 66268833
3-[4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269880
3-[4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81405616
N-ethyl-2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylpropanamide
CID 103107020
3-[4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81348534
2-[4-[(octan-2-ylamino)methyl]triazol-1-yl]ethanol
CID 66269808
3-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269133
3-[4-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81367670

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol (CID 66269304) is 3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol is CC(C)CC(C)NCc1cn(CCCO)nn1.
What is the InChIKey of 3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol?
The InChIKey is YHBRXVKEFUKJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-10(2)7-11(3)13-8-12-9-16(15-14-12)5-4-6-17/h9-11,13,17H,4-8H2,1-3H3.
What are the key properties of 3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol?
3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol has a molecular weight of 240.35 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66269304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).