N,4-dimethyl-5-(morpholin-2-ylmethyl)-1,2,4-triazol-3-amine

C9H17N5O — CID 112597017

IUPACN,4-dimethyl-5-(morpholin-2-ylmethyl)-1,2,4-triazol-3-amine
SMILESCNc1nnc(CC2CNCCO2)n1C
InChIInChI=1S/C9H17N5O/c1-10-9-13-12-8(14(9)2)5-7-6-11-3-4-15-7/h7,11H,3-6H2,1-2H3,(H,10,13)
InChIKeyNQPVIJSBPAKDIT-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.61
Rot. Bonds3

About N,4-dimethyl-5-(morpholin-2-ylmethyl)-1,2,4-triazol-3-amine

N,4-dimethyl-5-(morpholin-2-ylmethyl)-1,2,4-triazol-3-amine (PubChem CID 112597017) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is N,4-dimethyl-5-(morpholin-2-ylmethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-(morpholin-2-ylmethyl)-1,2,4-triazol-3-amine
PubChem CID112597017
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC NameN,4-dimethyl-5-(morpholin-2-ylmethyl)-1,2,4-triazol-3-amine
SMILESCNc1nnc(CC2CNCCO2)n1C
InChIInChI=1S/C9H17N5O/c1-10-9-13-12-8(14(9)2)5-7-6-11-3-4-15-7/h7,11H,3-6H2,1-2H3,(H,10,13)
InChIKeyNQPVIJSBPAKDIT-UHFFFAOYSA-N
XLogP-0.61
TPSA64.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]morpholine
CID 79817912
2-[(1,5-dimethylbenzimidazol-2-yl)methyl]morpholine
CID 66420976
2-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine
CID 66434955
2-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]morpholine
CID 66434375
2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 66433751
2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine
CID 66434028
1-methyl-N-(morpholin-2-ylmethyl)imidazol-2-amine
CID 115324160
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
CID 64533262
N-methyl-2-morpholin-2-ylethanamine
CID 14652595
5-[(cyclopropylamino)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597063
2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 140664960
2-(morpholin-2-ylmethyl)morpholine
CID 18506039

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-(morpholin-2-ylmethyl)-1,2,4-triazol-3-amine?
The IUPAC name of N,4-dimethyl-5-(morpholin-2-ylmethyl)-1,2,4-triazol-3-amine (CID 112597017) is N,4-dimethyl-5-(morpholin-2-ylmethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-dimethyl-5-(morpholin-2-ylmethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-dimethyl-5-(morpholin-2-ylmethyl)-1,2,4-triazol-3-amine is CNc1nnc(CC2CNCCO2)n1C.
What is the InChIKey of N,4-dimethyl-5-(morpholin-2-ylmethyl)-1,2,4-triazol-3-amine?
The InChIKey is NQPVIJSBPAKDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-10-9-13-12-8(14(9)2)5-7-6-11-3-4-15-7/h7,11H,3-6H2,1-2H3,(H,10,13).
What are the key properties of N,4-dimethyl-5-(morpholin-2-ylmethyl)-1,2,4-triazol-3-amine?
N,4-dimethyl-5-(morpholin-2-ylmethyl)-1,2,4-triazol-3-amine has a molecular weight of 211.27 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-(morpholin-2-ylmethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 112597017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).