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

C16H26N4O — CID 66268358

IUPAC3-[4-[(2-adamantylamino)methyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CNC2C3CC4CC(C3)CC2C4)nn1
InChIInChI=1S/C16H26N4O/c21-3-1-2-20-10-15(18-19-20)9-17-16-13-5-11-4-12(7-13)8-14(16)6-11/h10-14,16-17,21H,1-9H2
InChIKeyQIZWGJYQDKQNFK-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.57
Rot. Bonds6

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

3-[4-[(2-adamantylamino)methyl]triazol-1-yl]propan-1-ol (PubChem CID 66268358) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[4-[(2-adamantylamino)methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(2-adamantylamino)methyl]triazol-1-yl]propan-1-ol
PubChem CID66268358
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-[4-[(2-adamantylamino)methyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CNC2C3CC4CC(C3)CC2C4)nn1
InChIInChI=1S/C16H26N4O/c21-3-1-2-20-10-15(18-19-20)9-17-16-13-5-11-4-12(7-13)8-14(16)6-11/h10-14,16-17,21H,1-9H2
InChIKeyQIZWGJYQDKQNFK-UHFFFAOYSA-N
XLogP1.57
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,2S,4R,5S)-6-[[1-(7-hydroxyheptyl)triazol-4-yl]methylamino]cyclohexane-1,2,3,4,5-pentol
CID 52937816
3-[4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]triazol-1-yl]propan-1-ol
CID 79358090
3-[4-[[(1,1-dioxothian-4-yl)amino]methyl]triazol-1-yl]propan-1-ol
CID 66268350
3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268921
3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268362
3-(4-ethyltriazol-1-yl)propan-1-ol
CID 115012060
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol
CID 66269866
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-2-methylpropan-1-ol
CID 66268917
3-[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]triazol-1-yl]propan-1-ol
CID 66268914
(1R,2R,3S,4R,5R,6S)-2-[[1-(10-hydroxydecyl)triazol-4-yl]methylamino]-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 52937003
3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269304
3-[4-[[2-(3-methylcyclohexyl)ethylamino]methyl]triazol-1-yl]propan-1-ol
CID 66270873

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-adamantylamino)methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[(2-adamantylamino)methyl]triazol-1-yl]propan-1-ol (CID 66268358) is 3-[4-[(2-adamantylamino)methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[(2-adamantylamino)methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[(2-adamantylamino)methyl]triazol-1-yl]propan-1-ol is OCCCn1cc(CNC2C3CC4CC(C3)CC2C4)nn1.
What is the InChIKey of 3-[4-[(2-adamantylamino)methyl]triazol-1-yl]propan-1-ol?
The InChIKey is QIZWGJYQDKQNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c21-3-1-2-20-10-15(18-19-20)9-17-16-13-5-11-4-12(7-13)8-14(16)6-11/h10-14,16-17,21H,1-9H2.
What are the key properties of 3-[4-[(2-adamantylamino)methyl]triazol-1-yl]propan-1-ol?
3-[4-[(2-adamantylamino)methyl]triazol-1-yl]propan-1-ol has a molecular weight of 290.41 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-adamantylamino)methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66268358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).