2-[(1-tert-butyltriazol-4-yl)methoxy]-4,6-bis[(1-propan-2-yltriazol-4-yl)methoxy]-1,3,5-triazine

C22H32N12O3 — CID 140937815

IUPAC2-[(1-tert-butyltriazol-4-yl)methoxy]-4,6-bis[(1-propan-2-yltriazol-4-yl)methoxy]-1,3,5-triazine
SMILESCC(C)n1cc(COc2nc(OCc3cn(C(C)C)nn3)nc(OCc3cn(C(C)(C)C)nn3)n2)nn1
InChIInChI=1S/C22H32N12O3/c1-14(2)32-8-16(26-29-32)11-35-19-23-20(36-12-17-9-33(15(3)4)30-27-17)25-21(24-19)37-13-18-10-34(31-28-18)22(5,6)7/h8-10,14-15H,11-13H2,1-7H3
InChIKeyFKUJTLYOKOTWIK-UHFFFAOYSA-N
MW512.58 g/mol
LogP2.30
Rot. Bonds11

About 2-[(1-tert-butyltriazol-4-yl)methoxy]-4,6-bis[(1-propan-2-yltriazol-4-yl)methoxy]-1,3,5-triazine

2-[(1-tert-butyltriazol-4-yl)methoxy]-4,6-bis[(1-propan-2-yltriazol-4-yl)methoxy]-1,3,5-triazine (PubChem CID 140937815) has the molecular formula C22H32N12O3 and a molecular weight of 512.58 g/mol. Its IUPAC name is 2-[(1-tert-butyltriazol-4-yl)methoxy]-4,6-bis[(1-propan-2-yltriazol-4-yl)methoxy]-1,3,5-triazine.

Molecular Properties

Compound Name2-[(1-tert-butyltriazol-4-yl)methoxy]-4,6-bis[(1-propan-2-yltriazol-4-yl)methoxy]-1,3,5-triazine
PubChem CID140937815
Molecular FormulaC22H32N12O3
Molecular Weight512.58 g/mol
Exact Mass512.27
IUPAC Name2-[(1-tert-butyltriazol-4-yl)methoxy]-4,6-bis[(1-propan-2-yltriazol-4-yl)methoxy]-1,3,5-triazine
SMILESCC(C)n1cc(COc2nc(OCc3cn(C(C)C)nn3)nc(OCc3cn(C(C)(C)C)nn3)n2)nn1
InChIInChI=1S/C22H32N12O3/c1-14(2)32-8-16(26-29-32)11-35-19-23-20(36-12-17-9-33(15(3)4)30-27-17)25-21(24-19)37-13-18-10-34(31-28-18)22(5,6)7/h8-10,14-15H,11-13H2,1-7H3
InChIKeyFKUJTLYOKOTWIK-UHFFFAOYSA-N
XLogP2.30
TPSA158.49 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.58
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-[(1-tert-butyltriazol-4-yl)methoxy]-4,6-bis[(1-propan-2-yltriazol-4-yl)methoxy]-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

1-propan-2-yl-4-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]triazole
CID 134361230
1-[(1-tert-butyltriazol-4-yl)methyl]-3-[(1-methyltriazol-4-yl)methyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]-1,3,5-triazinane-2,4,6-trione
CID 155097519
2-[4-(1-tert-butyltriazol-4-yl)phenoxy]-4,6-bis[4-(1-propan-2-yltriazol-4-yl)phenoxy]-1,3,5-triazine
CID 155097533
4-(3-fluoropropoxymethyl)-1-propan-2-yltriazole
CID 171649243
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443
1-tert-butyl-4-[3-propan-2-yloxy-2-(propan-2-yloxymethyl)propyl]triazole
CID 169069198
(Z)-1-[amino-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]amino]-3-methylbut-1-en-2-amine
CID 130276024
2-[4-(1-tert-butyltriazol-4-yl)phenoxy]-4-[4-(1-propan-2-yltriazol-4-yl)phenoxy]-6-[4-(1H-triazol-4-yl)phenoxy]-1,3,5-triazine
CID 155097532
N-[2-[2-[(1-propan-2-yltriazol-4-yl)methoxy]ethoxy]ethyl]propan-2-amine
CID 171106565
N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
CID 103399314
(1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 103399284
N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 103398582

Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butyltriazol-4-yl)methoxy]-4,6-bis[(1-propan-2-yltriazol-4-yl)methoxy]-1,3,5-triazine?
The IUPAC name of 2-[(1-tert-butyltriazol-4-yl)methoxy]-4,6-bis[(1-propan-2-yltriazol-4-yl)methoxy]-1,3,5-triazine (CID 140937815) is 2-[(1-tert-butyltriazol-4-yl)methoxy]-4,6-bis[(1-propan-2-yltriazol-4-yl)methoxy]-1,3,5-triazine.
What is the SMILES notation for 2-[(1-tert-butyltriazol-4-yl)methoxy]-4,6-bis[(1-propan-2-yltriazol-4-yl)methoxy]-1,3,5-triazine?
The canonical SMILES for 2-[(1-tert-butyltriazol-4-yl)methoxy]-4,6-bis[(1-propan-2-yltriazol-4-yl)methoxy]-1,3,5-triazine is CC(C)n1cc(COc2nc(OCc3cn(C(C)C)nn3)nc(OCc3cn(C(C)(C)C)nn3)n2)nn1.
What is the InChIKey of 2-[(1-tert-butyltriazol-4-yl)methoxy]-4,6-bis[(1-propan-2-yltriazol-4-yl)methoxy]-1,3,5-triazine?
The InChIKey is FKUJTLYOKOTWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N12O3/c1-14(2)32-8-16(26-29-32)11-35-19-23-20(36-12-17-9-33(15(3)4)30-27-17)25-21(24-19)37-13-18-10-34(31-28-18)22(5,6)7/h8-10,14-15H,11-13H2,1-7H3.
What are the key properties of 2-[(1-tert-butyltriazol-4-yl)methoxy]-4,6-bis[(1-propan-2-yltriazol-4-yl)methoxy]-1,3,5-triazine?
2-[(1-tert-butyltriazol-4-yl)methoxy]-4,6-bis[(1-propan-2-yltriazol-4-yl)methoxy]-1,3,5-triazine has a molecular weight of 512.58 g/mol, XLogP of 2.30, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butyltriazol-4-yl)methoxy]-4,6-bis[(1-propan-2-yltriazol-4-yl)methoxy]-1,3,5-triazine is sourced from PubChem (CID 140937815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).