N-methyl-N-[[5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]butan-1-amine

C17H29N7 — CID 53202401

IUPACN-methyl-N-[[5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]butan-1-amine
SMILESCCCCN(C)Cc1nc2nc(C)cc(N3CCN(C)CC3)n2n1
InChIInChI=1S/C17H29N7/c1-5-6-7-22(4)13-15-19-17-18-14(2)12-16(24(17)20-15)23-10-8-21(3)9-11-23/h12H,5-11,13H2,1-4H3
InChIKeyWUHNAFUWYIPISS-UHFFFAOYSA-N
MW331.47 g/mol
LogP1.42
Rot. Bonds6

About N-methyl-N-[[5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]butan-1-amine

N-methyl-N-[[5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]butan-1-amine (PubChem CID 53202401) has the molecular formula C17H29N7 and a molecular weight of 331.47 g/mol. Its IUPAC name is N-methyl-N-[[5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]butan-1-amine
PubChem CID53202401
Molecular FormulaC17H29N7
Molecular Weight331.47 g/mol
Exact Mass331.25
IUPAC NameN-methyl-N-[[5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]butan-1-amine
SMILESCCCCN(C)Cc1nc2nc(C)cc(N3CCN(C)CC3)n2n1
InChIInChI=1S/C17H29N7/c1-5-6-7-22(4)13-15-19-17-18-14(2)12-16(24(17)20-15)23-10-8-21(3)9-11-23/h12H,5-11,13H2,1-4H3
InChIKeyWUHNAFUWYIPISS-UHFFFAOYSA-N
XLogP1.42
TPSA52.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]butan-1-amine?
The IUPAC name of N-methyl-N-[[5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]butan-1-amine (CID 53202401) is N-methyl-N-[[5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]butan-1-amine.
What is the SMILES notation for N-methyl-N-[[5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]butan-1-amine?
The canonical SMILES for N-methyl-N-[[5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]butan-1-amine is CCCCN(C)Cc1nc2nc(C)cc(N3CCN(C)CC3)n2n1.
What is the InChIKey of N-methyl-N-[[5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]butan-1-amine?
The InChIKey is WUHNAFUWYIPISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N7/c1-5-6-7-22(4)13-15-19-17-18-14(2)12-16(24(17)20-15)23-10-8-21(3)9-11-23/h12H,5-11,13H2,1-4H3.
What are the key properties of N-methyl-N-[[5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]butan-1-amine?
N-methyl-N-[[5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]butan-1-amine has a molecular weight of 331.47 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]butan-1-amine is sourced from PubChem (CID 53202401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).