3-N-(1-methylpyrrolidin-3-yl)-1H-1,2,4-triazole-3,5-diamine

C7H14N6 — CID 66277099

IUPAC3-N-(1-methylpyrrolidin-3-yl)-1H-1,2,4-triazole-3,5-diamine
SMILESCN1CCC(Nc2n[nH]c(N)n2)C1
InChIInChI=1S/C7H14N6/c1-13-3-2-5(4-13)9-7-10-6(8)11-12-7/h5H,2-4H2,1H3,(H4,8,9,10,11,12)
InChIKeyYGYUDLRRHNBBFI-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.50
Rot. Bonds2

About 3-N-(1-methylpyrrolidin-3-yl)-1H-1,2,4-triazole-3,5-diamine

3-N-(1-methylpyrrolidin-3-yl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 66277099) has the molecular formula C7H14N6 and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-N-(1-methylpyrrolidin-3-yl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(1-methylpyrrolidin-3-yl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID66277099
Molecular FormulaC7H14N6
Molecular Weight182.23 g/mol
Exact Mass182.13
IUPAC Name3-N-(1-methylpyrrolidin-3-yl)-1H-1,2,4-triazole-3,5-diamine
SMILESCN1CCC(Nc2n[nH]c(N)n2)C1
InChIInChI=1S/C7H14N6/c1-13-3-2-5(4-13)9-7-10-6(8)11-12-7/h5H,2-4H2,1H3,(H4,8,9,10,11,12)
InChIKeyYGYUDLRRHNBBFI-UHFFFAOYSA-N
XLogP-0.50
TPSA82.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-1-methylpiperidin-2-one
CID 66275820
2-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4-diamine
CID 130532595
N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 61464985
2-N-(1-methylpyrrolidin-3-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 112746491
3-N-(4-methylpiperazin-1-yl)-1H-1,2,4-triazole-3,5-diamine
CID 83024057
3-N-[(4-methylmorpholin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 79071706
2-N,2-N-diethyl-4-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4,6-triamine
CID 80802963
6-N-(1-methylpyrrolidin-3-yl)pyridine-2,3,6-triamine
CID 79826028
6-chloro-5-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-triazin-3-amine
CID 176918022
ethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 143709690
2-N-(1-methylpyrrolidin-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80803159
3-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-1,2,4-triazole-3,5-diamine
CID 58878169

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-methylpyrrolidin-3-yl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(1-methylpyrrolidin-3-yl)-1H-1,2,4-triazole-3,5-diamine (CID 66277099) is 3-N-(1-methylpyrrolidin-3-yl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(1-methylpyrrolidin-3-yl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(1-methylpyrrolidin-3-yl)-1H-1,2,4-triazole-3,5-diamine is CN1CCC(Nc2n[nH]c(N)n2)C1.
What is the InChIKey of 3-N-(1-methylpyrrolidin-3-yl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is YGYUDLRRHNBBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6/c1-13-3-2-5(4-13)9-7-10-6(8)11-12-7/h5H,2-4H2,1H3,(H4,8,9,10,11,12).
What are the key properties of 3-N-(1-methylpyrrolidin-3-yl)-1H-1,2,4-triazole-3,5-diamine?
3-N-(1-methylpyrrolidin-3-yl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 182.23 g/mol, XLogP of -0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-methylpyrrolidin-3-yl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 66277099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).