5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C18H29N7 — CID 53202378

IUPAC5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(C)CC2)n2nc(CN3CCN(C)CC3)nc2n1
InChIInChI=1S/C18H29N7/c1-14-4-6-24(7-5-14)17-12-15(2)19-18-20-16(21-25(17)18)13-23-10-8-22(3)9-11-23/h12,14H,4-11,13H2,1-3H3
InChIKeyQPZAOJOGVDSLRN-UHFFFAOYSA-N
MW343.48 g/mol
LogP1.42
Rot. Bonds3

About 5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 53202378) has the molecular formula C18H29N7 and a molecular weight of 343.48 g/mol. Its IUPAC name is 5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID53202378
Molecular FormulaC18H29N7
Molecular Weight343.48 g/mol
Exact Mass343.25
IUPAC Name5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(C)CC2)n2nc(CN3CCN(C)CC3)nc2n1
InChIInChI=1S/C18H29N7/c1-14-4-6-24(7-5-14)17-12-15(2)19-18-20-16(21-25(17)18)13-23-10-8-22(3)9-11-23/h12,14H,4-11,13H2,1-3H3
InChIKeyQPZAOJOGVDSLRN-UHFFFAOYSA-N
XLogP1.42
TPSA52.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-Dimethylpyrazol-1-yl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidine
CID 879239
7-(4-Cyclohexylpiperazin-1-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 5308814
2,5-Dimethyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 5308906
5-isopropyl-N,2-dimethyl-N-[(1-methyl-2-pyrrolidinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56889089
5-Methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 12366048
2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine
CID 53618601
2-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 56778051
2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine
CID 56781607
N-cyclopentyl-N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N'-dimethyl-1,2-ethanediamine
CID 56887823
1-(5-isopropyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethyl-3-pyrrolidinamine
CID 56895115
7-(1-Azepanyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine
CID 56900706
N,N-dimethyl-1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-piperidinamine
CID 56902625

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 53202378) is 5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCC(C)CC2)n2nc(CN3CCN(C)CC3)nc2n1.
What is the InChIKey of 5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is QPZAOJOGVDSLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7/c1-14-4-6-24(7-5-14)17-12-15(2)19-18-20-16(21-25(17)18)13-23-10-8-22(3)9-11-23/h12,14H,4-11,13H2,1-3H3.
What are the key properties of 5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 343.48 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 53202378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).