2-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]ethanamine

C10H17N7 — CID 116641967

IUPAC2-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]ethanamine
SMILESCC(C)n1ncnc1Cn1cc(CCN)nn1
InChIInChI=1S/C10H17N7/c1-8(2)17-10(12-7-13-17)6-16-5-9(3-4-11)14-15-16/h5,7-8H,3-4,6,11H2,1-2H3
InChIKeyMPPOODGGQDQIEQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.00
Rot. Bonds5

About 2-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]ethanamine

2-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]ethanamine (PubChem CID 116641967) has the molecular formula C10H17N7 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]ethanamine
PubChem CID116641967
Molecular FormulaC10H17N7
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name2-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]ethanamine
SMILESCC(C)n1ncnc1Cn1cc(CCN)nn1
InChIInChI=1S/C10H17N7/c1-8(2)17-10(12-7-13-17)6-16-5-9(3-4-11)14-15-16/h5,7-8H,3-4,6,11H2,1-2H3
InChIKeyMPPOODGGQDQIEQ-UHFFFAOYSA-N
XLogP-0.00
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(aminomethyl)triazol-1-yl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
CID 116599907
[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine
CID 106717912
2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]triazol-4-yl]ethanamine
CID 116641969
2-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]triazol-4-yl]ethanamine
CID 116641837
2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine
CID 116642361
2-(1-benzyltriazol-4-yl)ethanamine
CID 83638080
5-propan-2-yl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
CID 79543047
2-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanamine
CID 116642062
2-[3,5-difluoro-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 79881908
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanamine
CID 116642059
2-amino-3-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]propanoic acid
CID 116734992
2-methyl-N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine
CID 66194216

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]ethanamine (CID 116641967) is 2-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]ethanamine is CC(C)n1ncnc1Cn1cc(CCN)nn1.
What is the InChIKey of 2-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]ethanamine?
The InChIKey is MPPOODGGQDQIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7/c1-8(2)17-10(12-7-13-17)6-16-5-9(3-4-11)14-15-16/h5,7-8H,3-4,6,11H2,1-2H3.
What are the key properties of 2-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]ethanamine?
2-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]ethanamine has a molecular weight of 235.29 g/mol, XLogP of -0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 116641967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).