N-[[1-[[4-[(propan-2-ylamino)methyl]triazol-1-yl]methyl]triazol-4-yl]methyl]propan-2-amine

C13H24N8 — CID 58011235

IUPACN-[[1-[[4-[(propan-2-ylamino)methyl]triazol-1-yl]methyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(Cn2cc(CNC(C)C)nn2)nn1
InChIInChI=1S/C13H24N8/c1-10(2)14-5-12-7-20(18-16-12)9-21-8-13(17-19-21)6-15-11(3)4/h7-8,10-11,14-15H,5-6,9H2,1-4H3
InChIKeyOHARUEIALVUDDU-UHFFFAOYSA-N
MW292.39 g/mol
LogP0.37
Rot. Bonds8

About N-[[1-[[4-[(propan-2-ylamino)methyl]triazol-1-yl]methyl]triazol-4-yl]methyl]propan-2-amine

N-[[1-[[4-[(propan-2-ylamino)methyl]triazol-1-yl]methyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 58011235) has the molecular formula C13H24N8 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-[[1-[[4-[(propan-2-ylamino)methyl]triazol-1-yl]methyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[[4-[(propan-2-ylamino)methyl]triazol-1-yl]methyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID58011235
Molecular FormulaC13H24N8
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC NameN-[[1-[[4-[(propan-2-ylamino)methyl]triazol-1-yl]methyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(Cn2cc(CNC(C)C)nn2)nn1
InChIInChI=1S/C13H24N8/c1-10(2)14-5-12-7-20(18-16-12)9-21-8-13(17-19-21)6-15-11(3)4/h7-8,10-11,14-15H,5-6,9H2,1-4H3
InChIKeyOHARUEIALVUDDU-UHFFFAOYSA-N
XLogP0.37
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[1-[[4-[(propan-2-ylamino)methyl]triazol-1-yl]methyl]triazol-4-yl]methyl]propan-2-amine with MolForge

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Related Compounds

1-[[1-[3-[4-(1,5,9-Triazacyclododec-1-ylmethyl)triazol-1-yl]propyl]triazol-4-yl]methyl]-1,5,9-triazacyclododecane
CID 57393419
CID 135026025
CID 135026025
N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 81109598
N-[(3-methyltriazol-4-yl)methyl]-2-(triazol-1-yl)ethanamine
CID 104098867
n-((1-Ethyl-1h-1,2,3-triazol-4-yl)methyl)propan-2-amine
CID 58011234
N-[(1-propan-2-yltriazol-4-yl)methyl]propan-2-amine
CID 58325970
N-[(1-methyltriazol-4-yl)methyl]butan-1-amine
CID 62756467
2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]propan-1-amine
CID 66193050
N-[(1-propyltriazol-4-yl)methyl]propan-2-amine
CID 66193770
N-[(1-propan-2-yltriazol-4-yl)methyl]ethanamine
CID 66194266
N-[(1-propyltriazol-4-yl)methyl]propan-1-amine
CID 66194520
N-[(1-propyltriazol-4-yl)methyl]ethanamine
CID 66194685

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[4-[(propan-2-ylamino)methyl]triazol-1-yl]methyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[[4-[(propan-2-ylamino)methyl]triazol-1-yl]methyl]triazol-4-yl]methyl]propan-2-amine (CID 58011235) is N-[[1-[[4-[(propan-2-ylamino)methyl]triazol-1-yl]methyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[[4-[(propan-2-ylamino)methyl]triazol-1-yl]methyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[[4-[(propan-2-ylamino)methyl]triazol-1-yl]methyl]triazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(Cn2cc(CNC(C)C)nn2)nn1.
What is the InChIKey of N-[[1-[[4-[(propan-2-ylamino)methyl]triazol-1-yl]methyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is OHARUEIALVUDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N8/c1-10(2)14-5-12-7-20(18-16-12)9-21-8-13(17-19-21)6-15-11(3)4/h7-8,10-11,14-15H,5-6,9H2,1-4H3.
What are the key properties of N-[[1-[[4-[(propan-2-ylamino)methyl]triazol-1-yl]methyl]triazol-4-yl]methyl]propan-2-amine?
N-[[1-[[4-[(propan-2-ylamino)methyl]triazol-1-yl]methyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 292.39 g/mol, XLogP of 0.37, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[4-[(propan-2-ylamino)methyl]triazol-1-yl]methyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 58011235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).