1-methyl-4-[5-methyl-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine

C14H23N7O — CID 1477794

IUPAC1-methyl-4-[5-methyl-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine
SMILESCc1nnc(-c2cnn(C)c2N)n1CCCN1CCOCC1
InChIInChI=1S/C14H23N7O/c1-11-17-18-14(12-10-16-19(2)13(12)15)21(11)5-3-4-20-6-8-22-9-7-20/h10H,3-9,15H2,1-2H3
InChIKeyCAAHGHOSXOZKQY-UHFFFAOYSA-N
MW305.39 g/mol
LogP0.29
Rot. Bonds5

About 1-methyl-4-[5-methyl-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine

1-methyl-4-[5-methyl-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine (PubChem CID 1477794) has the molecular formula C14H23N7O and a molecular weight of 305.39 g/mol. Its IUPAC name is 1-methyl-4-[5-methyl-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-[5-methyl-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine
PubChem CID1477794
Molecular FormulaC14H23N7O
Molecular Weight305.39 g/mol
Exact Mass305.20
IUPAC Name1-methyl-4-[5-methyl-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine
SMILESCc1nnc(-c2cnn(C)c2N)n1CCCN1CCOCC1
InChIInChI=1S/C14H23N7O/c1-11-17-18-14(12-10-16-19(2)13(12)15)21(11)5-3-4-20-6-8-22-9-7-20/h10H,3-9,15H2,1-2H3
InChIKeyCAAHGHOSXOZKQY-UHFFFAOYSA-N
XLogP0.29
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-methyl-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine?
The IUPAC name of 1-methyl-4-[5-methyl-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine (CID 1477794) is 1-methyl-4-[5-methyl-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-[5-methyl-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-[5-methyl-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine is Cc1nnc(-c2cnn(C)c2N)n1CCCN1CCOCC1.
What is the InChIKey of 1-methyl-4-[5-methyl-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine?
The InChIKey is CAAHGHOSXOZKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O/c1-11-17-18-14(12-10-16-19(2)13(12)15)21(11)5-3-4-20-6-8-22-9-7-20/h10H,3-9,15H2,1-2H3.
What are the key properties of 1-methyl-4-[5-methyl-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine?
1-methyl-4-[5-methyl-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine has a molecular weight of 305.39 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-methyl-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine is sourced from PubChem (CID 1477794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).