1-[(3-methyltriazol-4-yl)methylamino]pentan-3-ol

C9H18N4O — CID 115703082

IUPAC1-[(3-methyltriazol-4-yl)methylamino]pentan-3-ol
SMILESCCC(O)CCNCc1cnnn1C
InChIInChI=1S/C9H18N4O/c1-3-9(14)4-5-10-6-8-7-11-12-13(8)2/h7,9-10,14H,3-6H2,1-2H3
InChIKeyADDCNFPJLMBKLT-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.07
Rot. Bonds6

About 1-[(3-methyltriazol-4-yl)methylamino]pentan-3-ol

1-[(3-methyltriazol-4-yl)methylamino]pentan-3-ol (PubChem CID 115703082) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[(3-methyltriazol-4-yl)methylamino]pentan-3-ol.

Molecular Properties

Compound Name1-[(3-methyltriazol-4-yl)methylamino]pentan-3-ol
PubChem CID115703082
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name1-[(3-methyltriazol-4-yl)methylamino]pentan-3-ol
SMILESCCC(O)CCNCc1cnnn1C
InChIInChI=1S/C9H18N4O/c1-3-9(14)4-5-10-6-8-7-11-12-13(8)2/h7,9-10,14H,3-6H2,1-2H3
InChIKeyADDCNFPJLMBKLT-UHFFFAOYSA-N
XLogP0.07
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1-Trifluoro-3-[4-(propylaminomethyl)triazol-1-yl]propan-2-ol
CID 66191792
3-[4-(Ethylaminomethyl)triazol-1-yl]-1,1,1-trifluoropropan-2-ol
CID 66194280
3-[4-[(3,3,3-Trifluoropropylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270497
1,1,1-Trifluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol
CID 103739293
1,1-Difluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol
CID 103739411
2,2-Difluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-1-ol
CID 104857539
2,2-Difluoro-3-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol
CID 106172843
3-[4-[(4,4,4-Trifluorobutylamino)methyl]triazol-1-yl]propan-1-ol
CID 113326915
1,1,1-Trifluoro-3-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-2-ol
CID 114093114
1,1-Difluoro-3-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-2-ol
CID 114093273
3-[4-[(4,4,4-Trifluorobutan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 114130168
3-[4-[(2,2-Difluoroethylamino)methyl]triazol-1-yl]propan-1-ol
CID 115405788

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyltriazol-4-yl)methylamino]pentan-3-ol?
The IUPAC name of 1-[(3-methyltriazol-4-yl)methylamino]pentan-3-ol (CID 115703082) is 1-[(3-methyltriazol-4-yl)methylamino]pentan-3-ol.
What is the SMILES notation for 1-[(3-methyltriazol-4-yl)methylamino]pentan-3-ol?
The canonical SMILES for 1-[(3-methyltriazol-4-yl)methylamino]pentan-3-ol is CCC(O)CCNCc1cnnn1C.
What is the InChIKey of 1-[(3-methyltriazol-4-yl)methylamino]pentan-3-ol?
The InChIKey is ADDCNFPJLMBKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-3-9(14)4-5-10-6-8-7-11-12-13(8)2/h7,9-10,14H,3-6H2,1-2H3.
What are the key properties of 1-[(3-methyltriazol-4-yl)methylamino]pentan-3-ol?
1-[(3-methyltriazol-4-yl)methylamino]pentan-3-ol has a molecular weight of 198.27 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyltriazol-4-yl)methylamino]pentan-3-ol is sourced from PubChem (CID 115703082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).