N-methyl-1-(2-morpholin-4-ylethyl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide

C17H27N7O2 — CID 28731627

IUPACN-methyl-1-(2-morpholin-4-ylethyl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide
SMILESCCCc1cc(CN(C)C(=O)c2cn(CCN3CCOCC3)nn2)[nH]n1
InChIInChI=1S/C17H27N7O2/c1-3-4-14-11-15(19-18-14)12-22(2)17(25)16-13-24(21-20-16)6-5-23-7-9-26-10-8-23/h11,13H,3-10,12H2,1-2H3,(H,18,19)
InChIKeyATBMMVBRBDCRKK-UHFFFAOYSA-N
MW361.45 g/mol
LogP0.56
Rot. Bonds8

About N-methyl-1-(2-morpholin-4-ylethyl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide

N-methyl-1-(2-morpholin-4-ylethyl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide (PubChem CID 28731627) has the molecular formula C17H27N7O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-methyl-1-(2-morpholin-4-ylethyl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2-morpholin-4-ylethyl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide
PubChem CID28731627
Molecular FormulaC17H27N7O2
Molecular Weight361.45 g/mol
Exact Mass361.22
IUPAC NameN-methyl-1-(2-morpholin-4-ylethyl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide
SMILESCCCc1cc(CN(C)C(=O)c2cn(CCN3CCOCC3)nn2)[nH]n1
InChIInChI=1S/C17H27N7O2/c1-3-4-14-11-15(19-18-14)12-22(2)17(25)16-13-24(21-20-16)6-5-23-7-9-26-10-8-23/h11,13H,3-10,12H2,1-2H3,(H,18,19)
InChIKeyATBMMVBRBDCRKK-UHFFFAOYSA-N
XLogP0.56
TPSA92.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-morpholin-4-ylethyl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide?
The IUPAC name of N-methyl-1-(2-morpholin-4-ylethyl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide (CID 28731627) is N-methyl-1-(2-morpholin-4-ylethyl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-methyl-1-(2-morpholin-4-ylethyl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-methyl-1-(2-morpholin-4-ylethyl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide is CCCc1cc(CN(C)C(=O)c2cn(CCN3CCOCC3)nn2)[nH]n1.
What is the InChIKey of N-methyl-1-(2-morpholin-4-ylethyl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide?
The InChIKey is ATBMMVBRBDCRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O2/c1-3-4-14-11-15(19-18-14)12-22(2)17(25)16-13-24(21-20-16)6-5-23-7-9-26-10-8-23/h11,13H,3-10,12H2,1-2H3,(H,18,19).
What are the key properties of N-methyl-1-(2-morpholin-4-ylethyl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide?
N-methyl-1-(2-morpholin-4-ylethyl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 0.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-morpholin-4-ylethyl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 28731627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).