N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide

C14H25N5O — CID 138036672

IUPACN-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC[C@@H]2CC[C@H](C)N2C)nnn1C(C)C
InChIInChI=1S/C14H25N5O/c1-9(2)19-11(4)13(16-17-19)14(20)15-8-12-7-6-10(3)18(12)5/h9-10,12H,6-8H2,1-5H3,(H,15,20)/t10-,12-/m0/s1
InChIKeyKVUMGJCBFIEFNM-JQWIXIFHSA-N
MW279.39 g/mol
LogP1.38
Rot. Bonds4

About N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide

N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide (PubChem CID 138036672) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide
PubChem CID138036672
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC[C@@H]2CC[C@H](C)N2C)nnn1C(C)C
InChIInChI=1S/C14H25N5O/c1-9(2)19-11(4)13(16-17-19)14(20)15-8-12-7-6-10(3)18(12)5/h9-10,12H,6-8H2,1-5H3,(H,15,20)/t10-,12-/m0/s1
InChIKeyKVUMGJCBFIEFNM-JQWIXIFHSA-N
XLogP1.38
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide?
The IUPAC name of N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide (CID 138036672) is N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide is Cc1c(C(=O)NC[C@@H]2CC[C@H](C)N2C)nnn1C(C)C.
What is the InChIKey of N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide?
The InChIKey is KVUMGJCBFIEFNM-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H25N5O/c1-9(2)19-11(4)13(16-17-19)14(20)15-8-12-7-6-10(3)18(12)5/h9-10,12H,6-8H2,1-5H3,(H,15,20)/t10-,12-/m0/s1.
What are the key properties of N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide?
N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 138036672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).