4-[[[1-(cyclopropylmethyl)triazol-4-yl]methyl-methylamino]methyl]-2-methoxyphenol

C16H22N4O2 — CID 166235389

IUPAC4-[[[1-(cyclopropylmethyl)triazol-4-yl]methyl-methylamino]methyl]-2-methoxyphenol
SMILESCOc1cc(CN(C)Cc2cn(CC3CC3)nn2)ccc1O
InChIInChI=1S/C16H22N4O2/c1-19(8-13-5-6-15(21)16(7-13)22-2)10-14-11-20(18-17-14)9-12-3-4-12/h5-7,11-12,21H,3-4,8-10H2,1-2H3
InChIKeyUPPGQLFHQTVWJZ-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.03
Rot. Bonds7

About 4-[[[1-(cyclopropylmethyl)triazol-4-yl]methyl-methylamino]methyl]-2-methoxyphenol

4-[[[1-(cyclopropylmethyl)triazol-4-yl]methyl-methylamino]methyl]-2-methoxyphenol (PubChem CID 166235389) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[[[1-(cyclopropylmethyl)triazol-4-yl]methyl-methylamino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[[1-(cyclopropylmethyl)triazol-4-yl]methyl-methylamino]methyl]-2-methoxyphenol
PubChem CID166235389
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name4-[[[1-(cyclopropylmethyl)triazol-4-yl]methyl-methylamino]methyl]-2-methoxyphenol
SMILESCOc1cc(CN(C)Cc2cn(CC3CC3)nn2)ccc1O
InChIInChI=1S/C16H22N4O2/c1-19(8-13-5-6-15(21)16(7-13)22-2)10-14-11-20(18-17-14)9-12-3-4-12/h5-7,11-12,21H,3-4,8-10H2,1-2H3
InChIKeyUPPGQLFHQTVWJZ-UHFFFAOYSA-N
XLogP2.03
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[methyl-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]amino]methyl]phenol
CID 45240942
1-(5-chlorothiophen-2-yl)-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-N-methylmethanamine
CID 167777617
2-[[1-(cyclopropylmethyl)triazol-4-yl]methoxy]phenol
CID 126835797
2-methoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 79311898
2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63297913
4-(fluoromethyl)-2-methoxyphenol
CID 84650348
4-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol
CID 26406188
4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol
CID 133497336
4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol
CID 82980831
4-[[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]methyl]-2-methoxyphenol;hydrochloride
CID 120750843
2-ethoxy-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 82961939
3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 103737026

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(cyclopropylmethyl)triazol-4-yl]methyl-methylamino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[[1-(cyclopropylmethyl)triazol-4-yl]methyl-methylamino]methyl]-2-methoxyphenol (CID 166235389) is 4-[[[1-(cyclopropylmethyl)triazol-4-yl]methyl-methylamino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[[1-(cyclopropylmethyl)triazol-4-yl]methyl-methylamino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[[1-(cyclopropylmethyl)triazol-4-yl]methyl-methylamino]methyl]-2-methoxyphenol is COc1cc(CN(C)Cc2cn(CC3CC3)nn2)ccc1O.
What is the InChIKey of 4-[[[1-(cyclopropylmethyl)triazol-4-yl]methyl-methylamino]methyl]-2-methoxyphenol?
The InChIKey is UPPGQLFHQTVWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-19(8-13-5-6-15(21)16(7-13)22-2)10-14-11-20(18-17-14)9-12-3-4-12/h5-7,11-12,21H,3-4,8-10H2,1-2H3.
What are the key properties of 4-[[[1-(cyclopropylmethyl)triazol-4-yl]methyl-methylamino]methyl]-2-methoxyphenol?
4-[[[1-(cyclopropylmethyl)triazol-4-yl]methyl-methylamino]methyl]-2-methoxyphenol has a molecular weight of 302.38 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(cyclopropylmethyl)triazol-4-yl]methyl-methylamino]methyl]-2-methoxyphenol is sourced from PubChem (CID 166235389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).