[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methanol

C9H13N5O — CID 62222826

IUPAC[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methanol
SMILESCc1nnc(Cn2ccnc2CO)n1C
InChIInChI=1S/C9H13N5O/c1-7-11-12-8(13(7)2)5-14-4-3-10-9(14)6-15/h3-4,15H,5-6H2,1-2H3
InChIKeyPVWASDTUGIJJMC-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.14
Rot. Bonds3

About [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methanol

[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methanol (PubChem CID 62222826) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methanol
PubChem CID62222826
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methanol
SMILESCc1nnc(Cn2ccnc2CO)n1C
InChIInChI=1S/C9H13N5O/c1-7-11-12-8(13(7)2)5-14-4-3-10-9(14)6-15/h3-4,15H,5-6H2,1-2H3
InChIKeyPVWASDTUGIJJMC-UHFFFAOYSA-N
XLogP-0.14
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-methyl-1H-imidazol-2-yl)methanol
CID 573612
(1-ethyl-1H-imidazol-2-yl)methanol
CID 581042
1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]piperazine
CID 53590281
(7-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methanol
CID 97519098
2-[3-[[3-(2-Hydroxyethyl)imidazol-1-ium-1-yl]methyl]imidazol-3-ium-1-yl]ethanol
CID 58546656
(1,3-Dimethylimidazol-1-ium-2-yl)methanol
CID 89179072
2-[3-methyl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol
CID 97453307
Bis(1-methylimidazol-2-yl)methanol
CID 1238022
1,3-bis{[(E)-(1-methyl-1H-imidazol-2-yl)methylidene]amino}propan-2-ol
CID 15774183
1,4,7,10-Tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-diol
CID 91443931
5,10-dihyhydroxy-5H,10H-diimidazo[1,2-a:1',2'-d]pyrazine
CID 130720356
3,5-Dinitro-1,2-diaza-4-azanidacyclopenta-2,5-diene;2-(3-methylimidazol-3-ium-1-yl)ethanol
CID 139203672

Frequently Asked Questions

What is the IUPAC name of [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methanol?
The IUPAC name of [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methanol (CID 62222826) is [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methanol.
What is the SMILES notation for [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methanol?
The canonical SMILES for [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methanol is Cc1nnc(Cn2ccnc2CO)n1C.
What is the InChIKey of [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methanol?
The InChIKey is PVWASDTUGIJJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-7-11-12-8(13(7)2)5-14-4-3-10-9(14)6-15/h3-4,15H,5-6H2,1-2H3.
What are the key properties of [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methanol?
[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methanol has a molecular weight of 207.24 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methanol is sourced from PubChem (CID 62222826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).